Compound: CARBAMIC ACID
SMILES: O=C(O)N
InChIKey: KXDHJXZQYSOELW-UHFFFAOYSA-N
Synonyms: CARBAMIC ACID, Aminoformic acid, 463-77-4, O0UC6XOS4H, DTXSID5048009, CHEBI:28616, azaniumylformate, hydron;carbamate, RefChem:123374, carbamic acid, calcium salt, carbamic acid, potassium salt, DTXCID5027986, imidocarbonic acid, aminocarboxylic acid, Aminoameisensaeure, Aminomethanoic Acid, UNII-O0UC6XOS4H, Aminoformate, Carbamidsaeure, ammoniocarboxylate, Carbonimidic acid, ISOCARBAMIC ACID, SCHEMBL2, azanium carbamate hydrate, IMINOCARBONIC ACID, FORMIC ACID, AMINO-, SCHEMBL28565, SCHEMBL43458, SCHEMBL316538, SCHEMBL992286, CHEMBL125278, SCHEMBL3754344, SCHEMBL29391704, BDBM50369454, AKOS006223007, DB04261, NCGC00166327-01, NS00003466, C01563, EN300-379173, Q412078, VQO
Theoretical properties:
molecular_formula: CH3NO2
molecular_weight: 61.040 g/mol
exact_mass: 61.016378338 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 4
topological_polar_surface_area: 63.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
{"pubchem": "Carbamic acid is a one-carbon compound that is ammonia in which one of the hydrogens is replaced by a carboxy group. Although carbamic acid derivatives are common, carbamic acid itself has never been synthesised. It has a role as an Escherichia coli metabolite. It is an organonitrogen compound, a carbon oxoacid and a one-carbon compound. It is a conjugate acid of a carbamate.", "chebi": "A one-carbon compound that is ammonia in which one of the hydrogens is replaced by a carboxy group. Although carbamic acid derivatives are common, carbamic acid itself has never been synthesised.", "chembl": "CARBAMIC ACID is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.", "wikipedia": "Carbamic acid, which might also be called aminoformic acid or aminocarboxylic acid, is the chemical compound with the formula H2NCOOH. It can be obtained by the reaction of ammonia NH3 and carbon dioxide CO2 at very low temperatures, which also yields ammonium carbamate [NH4]+[NH2CO2]\u2212. The compound is stable only up to about 250 K (\u221223 \u00b0C); at higher temperatures it decomposes into those two gases. The solid apparently consists of dimers, with the two molecules connected by hydrogen bonds between the two carboxyl groups \u2013COOH.\nCarbamic acid could be seen as both an amine and carboxylic acid, and therefore an amino acid; however, the attachment of the carboxyl group \u2013COOH directly to the nitrogen atom (without any intermediate carbon chain) makes it behave very differently from the amino acids with intermediate carbon chain. (Glycine NH2CH2COOH is generally considered to be the simplest amino acid.) The hydroxyl group \u2013OH attached to the carbon also excludes it from the amide class.\nThe term \"carbamic acid\" is also used generically for any compounds of the form RR\u2032NCOOH, where R and R\u2032 are organic groups or hydrogen.\nDeprotonation of a carbamic acid yields a carbamate anion RR\u2032NCOO\u2212, the salts of which can be relatively stable. Carbamate is also a term used for esters of carbamic acids, such as methyl carbamate H2N\u2212C(=O)\u2212OCH3. The carbamoyl functional group RR\u2032N\u2013C(=O)\u2013 (often denoted by Cbm) is the carbamic acid molecule minus the OH part of the carboxyl."}