Compound: 4-Aminohippuric acid
SMILES: O=C(NCC(=O)O)c1ccc(N)cc1
InChIKey: HSMNQINEKMPTIC-UHFFFAOYSA-N
Synonyms: 4-Aminohippuric acid, 61-78-9, aminohippuric acid, P-AMINOHIPPURIC ACID, N-(4-Aminobenzoyl)glycine, Glycine, N-(4-aminobenzoyl)-, Paha, para-Aminohippuric acid, Nefrotest, N-(p-Aminobenzoyl)glycine, PAH (amino acid), N-(para-aminobenzoyl)glycine, Hippuric acid, p-amino-, paraaminohippuric acid, 2-[(4-aminobenzoyl)amino]acetic acid, N-(p-Aminobenzoyl)aminoacetic acid, Aminohippuric acid, p-, 2-[(4-aminophenyl)formamido]acetic acid, NSC-13064, Y79XT83BJ9, DTXSID7022590, Aminohippuric acid (USP), Aminohippuric acid [USP], DTXCID902590, CHEBI:104011, 2-((4-aminobenzoyl)amino)acetic acid, 2-((4-aminophenyl)formamido)acetic acid, p Aminohippuric Acid, 4 Aminohippuric Acid, para Aminohippuric Acid, RefChem:857980, Para-Aminohippurate, Sodium, 200-518-9, 2-(4-aminobenzamido)acetic acid, Aminohippurate, para-Aminohippurate, MFCD00007890, PAH, 4-Aminohippurate, NSC 13064, N-[(4-aminophenyl)carbonyl]glycine, CAS-61-78-9, NCGC00016279-01, 4-Amino hippuric acid, N-(p-Aminobenzoyl)aminoacetate, 2-[(4-aminophenyl)carbonylamino]acetic acid, HSDB 2139, SR-05000002048, EINECS 200-518-9, UNII-Y79XT83BJ9, AI3-52275, 4-Aminohippuricacid, ZWD, 4-aminohippuric-acid, Spectrum_001310, (p-Aminobenzoyl)glycine, (4-aminobenzoyl)glycine, Prestwick0_000895, Prestwick1_000895, Prestwick2_000895, Prestwick3_000895, Spectrum2_001515, Spectrum3_000952, Spectrum4_001065, Spectrum5_001100, CHEMBL463, Oprea1_490712, BSPBio_000710, KBioGR_001390, KBioSS_001790, MLS002154055, DivK1c_000694, SCHEMBL196513, SPECTRUM1503069, SPBio_001589, SPBio_002919, BPBio1_000782, GTPL4810, orb1308621, p-Aminohippuric acid, >=99%, SCHEMBL11132564, 4-Aminohippuric acid (Standard), HMS502C16, HY-B1306R, KBio1_000694, KBio2_001790, KBio2_004358, KBio2_006926, KBio3_002044, AMINOHIPPURIC ACID [HSDB], MSK2672, NSC7550, NINDS_000694, P-AMINOHIPPURIC ACID [MI], HMS1570D12, HMS1922C07, HMS2092H18, HMS2097D12, HMS2233A21, HMS3373E19, HMS3651L04, HMS3714D12, HMS5081P19, Pharmakon1600-01503069, AMINOHIPPURIC ACID [MART.], ALBB-025851, AMINOHIPPURIC ACID [USP-RS], AMINOHIPPURIC ACID [WHO-DD], HY-B1306, NSC-7550, NSC13064, 4-AMINOHIPPURIC ACID BIOTECH, Tox21_110345, BBL027666, CCG-39181, EBC-03450, NSC758232, s2883, SBB000329, STK801822, [(4-Aminobenzoyl)amino]acetic acid #, AKOS000120722, Tox21_110345_1, CS-4816, DB00345, FA16039, NSC-758232, IDI1_000694, p-Aminohippuric acid, >=98.0% (T), NCGC00016279-02, NCGC00016279-03, NCGC00016279-05, NCGC00094993-01, NCGC00094993-02, AC-29237, AMINOHIPPURIC ACID [USP MONOGRAPH], SMR001233372, SY048511, SBI-0051760.P002, DB-053989, A0313, AB00052309, NS00014737, ST45029013, SW197249-3, EN300-20920, 7E-944, D06890, D88242, AB00052309_08, F238888, Q291271, SR-05000002048-1, SR-05000002048-3, BRD-K65544384-001-14-1, BRD-K65544384-001-15-8, BRD-K65544384-236-01-0, BRD-K65544384-236-02-8, BRD-K65544384-236-03-6, Z104484866, Aminohippuric acid, United States Pharmacopeia (USP) Reference Standard, InChI=1/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13
Theoretical properties:
molecular_formula: C9H10N2O3
molecular_weight: 194.19 g/mol
exact_mass: 194.06914219 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 3
heavy_atom_count: 14
topological_polar_surface_area: 92.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: NEEDLES FROM HOT WATER
color: NEEDLES FROM HOT WATER
melting_point: 199-200 °C
solubility: Slightly soluble
vapor_pressure: 0.00000004 [mmHg]
Descriptions:
pubchem: P-aminohippuric acid is an N-acylglycine that is the 4-amino derivative of hippuric acid; used as a diagnostic agent in the measurement of renal plasma flow. It has a role as a Daphnia magna metabolite. It is a conjugate acid of a p-aminohippurate.
chebi: An <em>N</em>-acylglycine that is the 4-amino derivative of hippuric acid; used as a diagnostic agent in the measurement of renal plasma flow.
chembl: AMINOHIPPURIC ACID is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Aminohippuric acid or para-aminohippuric acid (PAH), a derivative of hippuric acid, is a diagnostic agent useful in medical tests involving the kidney used in the measurement of renal plasma flow.  It is an amide derivative of the amino acid glycine and para-aminobenzoic acid that is not naturally found in humans; it needs to be IV infused before diagnostic use.