2-Amino-3-(carboxyformamido)propanoic acid
PubChem CID: 2360
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| Compound Synonyms | 7554-90-7, 2-AMINO-3-(CARBOXYFORMAMIDO)PROPANOIC ACID, 2-amino-3-(oxaloamino)propanoic acid, (Rac)-Dencichine, DL-dencichin, Oxamic acid, (2-amino-2-carboxyethyl)-, 1TG777QI25, Alanine, 3-((carboxycarbonyl)amino)-, L-2-Amino-3-(oxalylamino)propanoic acid, 3-((Carboxycarbonyl)amino)alanine, Oxalylaminoalanine, Lathyrus neurotoxin, ODAP, beta-(Oxalylamino)alanine, Carboxycarbonyl-aminoalanine, UNII-1TG777QI25, (Rac)-Dencichin, 3-Oxalylamino-2-aminopropionic acid, DENCICHIN, DL-, SCHEMBL1973452, CHEMBL5184064, DTXSID50896910, CHEBI:173808, NEEQFPMRODQIKX-UHFFFAOYSA-N, .BETA.-(OXALYLAMINO)ALANINE, HY-N6030, (2-amino-2-carboxyethyl)oxamic acid, AKOS022639273, CS-0032199, L-alpha-Amino-gamma-oxalylaminopropionic acid, NS00075464, 3-((CARBOXYCARBONYL)AMINO)ALANINE, DL-, 2-AMINO-3-(CARBOXYFORMAMIDO)PROPANOICACID, Q27252869 |
|---|---|
| Topological Polar Surface Area | 130.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 12.0 |
| Description | Isolated from Panax notoginseng (sanchi). L-2-Amino-3-(oxalylamino)propanoic acid is found in tea and grass pea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 214.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-3-(oxaloamino)propanoic acid |
| Prediction Hob | 1.0 |
| Class | Carboxylic acids and derivatives |
| Xlogp | -4.1 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C5H8N2O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NEEQFPMRODQIKX-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -1.248 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Logd | -0.982 |
| Synonyms | 2-Amino-3-(oxalylamino)propanoic acid, L-form, L-alpha-Amino-beta-oxalylaminopropionic acid, L-alpha-Amino-gamma-oxalylaminopropionic acid, N3-Oxalyl-L-2,3-diaminopropanoate, L-2-Amino-3-(oxalylamino)propanoate, (2-Amino-2-carboxymethyl)-L-oxamic acid, 2-Oxalylamino-3-aminopropionic acid, 3-Amino-N-(carboxycarbonyl)-DL-alanine, 3-Amino-N-(carboxycarbonyl)alanine, 3-Oxalylamino-2-aminopropionic acid, L-BOAA, ODAP, beta-N-Oxalylamino-L-alanine, beta-N-Oxalylaminoalanine, beta-N-Oxalylaminoalanine, (L)-isomer, Carboxycarbonyl-aminoalanine, Dencichin, Dencichine, Lathyrus neurotoxin, Oxalylaminoalanine, Oxalyldiaminopropionic acid, Oxalyldiaminopropionic acid, (L-ala)-isomer, L-alpha-amino-beta-Oxalylaminopropionic acid, L-alpha-amino-gamma-Oxalylaminopropionic acid, 2-Amino-3-(carboxyformamido)propanoate |
| Substituent Name | Alpha-amino acid, Dicarboxylic acid or derivatives, Secondary carboxylic acid amide, Carboxamide group, Carboxylic acid, Carboxylic acid amide, Hydrocarbon derivative, Primary amine, Organooxygen compound, Organonitrogen compound, Primary aliphatic amine, Carbonyl group, Amine, Aliphatic acyclic compound |
| Compound Name | 2-Amino-3-(carboxyformamido)propanoic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 176.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 176.043 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 176.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | 1.9747064 |
| Inchi | InChI=1S/C5H8N2O5/c6-2(4(9)10)1-7-3(8)5(11)12/h2H,1,6H2,(H,7,8)(H,9,10)(H,11,12) |
| Smiles | C(C(C(=O)O)N)NC(=O)C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Alpha amino acids |
- 1. Outgoing r'ship
FOUND_INto/from Lathyrus Sativus (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all