Compound: nipecotic acid
SMILES: O=C(O)C1CNCCC1
InChIKey: XJLSEXAGTJCILF-UHFFFAOYSA-N
Synonyms: nipecotic acid, Piperidine-3-carboxylic acid, 498-95-3, 3-Piperidinecarboxylic acid, 1U1QTN40SY, CHEBI:116931, DTXSID00870568, RefChem:854194, DTXCID10818279, 207-873-9, (+/-)-Nipecotic acid, h-dl-nip-oh, 60252-41-7, MFCD00005992, dl-nipecotic acid, CHEMBL277498, hexahydronicotinic acid, SR-01000075612, EINECS 207-873-9, (+/-)-beta-Homoproline, UNII-1U1QTN40SY, Nipecotic, 3-carboxypiperidine, (y)-Nipecotic acid, (?)-Nipecotic acid, (RS)-nipecotic acid, Nipecotic acid, 98%, Spectrum_000353, Prestwick0_000950, Prestwick1_000950, Prestwick2_000950, Prestwick3_000950, Spectrum2_001184, Spectrum3_001712, Spectrum4_000169, Spectrum5_001412, (A+/-)-Nipecotic acid, 3-aPiperidinecarboxylic acid, 3-piperidine carboxylic acid, NIPECOTIC ACID [MI], Lopac0_000041, SCHEMBL85677, BSPBio_000920, BSPBio_003324, KBioGR_000657, KBioSS_000833, MLS000069598, DivK1c_000148, SPECTRUM2300345, SPBio_001227, SPBio_003079, (R)-(+/-)-Nipecotic acid, BPBio1_001012, GTPL4564, orb1704762, orb3029391, SCHEMBL1196146, SCHEMBL6583976, SCHEMBL23166480, SCHEMBL28168216, HMS500H10, KBio1_000148, KBio2_000833, KBio2_003401, KBio2_005969, KBio3_002544, PDK0243, NINDS_000148, HMS1570N22, HMS2097N22, HMS2235L11, HMS3260I03, Tox21_500041, (+/-)-.BETA.-HOMOPROLINE, BDBM50003624, CCG-40009, EBC-47323, PDSP1_000143, PDSP2_000142, SBB027313, STL193988, AKOS000120441, AKOS016347225, AC-2538, CS-W020556, FN02349, LP00041, PB29158, PB30681, PS-6088, SB10229, SB41071, SDCCGSBI-0050030.P003, IDI1_000148, MLS-0072915, NIPECOTIC ACID, (+/-)-ISOMER, ( inverted question mark)-Nipecotic acid, [J Neurochem 25: 797 (1975), NCGC00014992-03, NCGC00014992-04, NCGC00014992-05, NCGC00014992-06, NCGC00014992-07, NCGC00014992-08, NCGC00014992-14, NCGC00024510-02, NCGC00024510-03, NCGC00024510-04, NCGC00024510-05, NCGC00260726-01, HY-69359, SMR000059031, SY001864, MLS-0072915.P019, DB-022674, DB-218188, AB00052417, EU-0100041, N0420, NS00015522, Piperidine-3-carboxylic acid(nipecotic acid), ST50998283, EN300-17207, SR-01000075612-1, SR-01000075612-2, Q11324593, ( inverted question mark)-3-Piperidine carboxylic acid, F0001-1300, Nipecotic acid;Piperidine-3-carboxylic acid;L-nipecotic acid
Theoretical properties:
molecular_formula: C6H11NO2
molecular_weight: 129.16 g/mol
exact_mass: 129.078978594 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 1
heavy_atom_count: 9
topological_polar_surface_area: 49.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: 0.4 [ug/mL] (The mean of the results at pH 7.4)
Descriptions:
pubchem: Nipecotic acid is a piperidinemonocarboxylic acid that is piperidine in which one of the hydrogens at position 3 is substituted by a carboxylic acid group. It is a piperidinemonocarboxylic acid and a beta-amino acid.
chebi: A piperidinemonocarboxylic acid that is piperidine in which one of the hydrogens at position 3 is substituted by a carboxylic acid group.
chembl: NIPECOTIC ACID is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Nipecotic acid is a GABA reuptake inhibitor used in scientific research. It has very little to no blood–brain barrier penetration itself, but structural modifications have been made to improve this.