Hydantoic acid
PubChem CID: 10020
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| Compound Synonyms | Hydantoic acid, 462-60-2, N-Carbamoylglycine, Carbamoylglycine, Glycoluric acid, 2-(carbamoylamino)acetic acid, N-Carbamylglycine, 2-Ureidoacetic acid, Acetic acid, ureido-, Glycine, N-(aminocarbonyl)-, Urea, (carboxymethyl)-, Carbomoylglycine, ureidoacetic acid, Glycine, N-carbamoyl-, N-Carboxymethylurea, Acetic acid, ((aminocarbonyl)amino)-, NSC 49417, CCRIS 6533, EINECS 207-328-5, CB 1636, BRN 1812022, [(aminocarbonyl)amino]acetic acid, Q4F314U63K, MFCD00047876, NSC-49417, N-(CARBOXYMETHYL)UREA, DTXSID7060045, CHEBI:133351, 4-04-00-02411 (Beilstein Handbook Reference), carbamyl-glycine, carbamoyl glycine, N-carbamoyl glycine, Acetic acid, [(aminocarbonyl)amino]-, NCarbamylglycine, UNII-Q4F314U63K, NCarbamoylglycine, N-carbamyl glycine, Acetic acid, ureido, HydantoinsA currencyure, Urea, (carboxymethyl), Glycine, N(aminocarbonyl), Oprea1_578490, SCHEMBL289921, DTXCID4040478, Glycine, Ncarbamoyl (7CI,8CI), Glycine, N-carbamoyl-(7CI,8CI), NSC49417, Acetic acid, ((aminocarbonyl)amino), STL553754, AKOS000264528, AT23074, AS-56566, SY051314, DB-026618, DB-051365, CS-0204817, H0655, NS00031593, EN300-10397, AB00981907-01, Q27286991, Z57009586, InChI=1/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8, 207-328-5 |
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| Topological Polar Surface Area | 92.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 8.0 |
| Description | N-carbamoylglycine, also known as glycoluric acid or hydantoic acid, is a member of the class of compounds known as N-carbamoyl-alpha amino acids. N-carbamoyl-alpha amino acids are compounds containing an alpha amino acid which bears an carbamoyl group at its terminal nitrogen atom. N-carbamoylglycine is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). N-carbamoylglycine can be found in a number of food items such as persimmon, summer savory, tarragon, and coriander, which makes N-carbamoylglycine a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 111.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(carbamoylamino)acetic acid |
| Prediction Hob | 1.0 |
| Class | Carboxylic acids and derivatives |
| Xlogp | -1.4 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C3H6N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KZVRXPPUJQRGFN-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Rotatable Bond Count | 2.0 |
| Synonyms | Carbamoylglycine, Glycoluric acid, Hydantoic acid, N-Carbamylglycine, Glycolate, Glycolic acid, Hydantoate |
| Compound Name | Hydantoic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 118.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 118.038 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 118.09 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | 0.5330295999999999 |
| Inchi | InChI=1S/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8) |
| Smiles | C(C(=O)O)NC(=O)N |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | N-carbamoyl-alpha amino acids |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all