2-Amino-4-((carboxycarbonyl)amino)butanoic acid, (2S)-
PubChem CID: 441441
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| Compound Synonyms | 66592-71-0, L-alpha-Amino-gamma-oxalylaminobutyric acid, UNII-8Y7VF854DH, 8Y7VF854DH, (2S)-2-amino-4-(oxaloamino)butanoic acid, 2-Amino-4-((carboxycarbonyl)amino)butanoic acid, (2S)-, Butanoic acid, 2-amino-4-((carboxycarbonyl)amino)-, (2S)-, C08266, (2S)-2-amino-4-[(carboxycarbonyl)amino]butanoic acid, (2S)-2-amino-4-((carboxycarbonyl)amino)butanoic acid, AC1L9B6D, CTK2F5505, CHEBI:6329, DTXSID401221219, (S)-2-Amino-4-(carboxyformamido)butanoic acid, Q27107141 |
|---|---|
| Topological Polar Surface Area | 130.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 227.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-amino-4-(oxaloamino)butanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -3.7 |
| Molecular Formula | C6H10N2O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DSBZQNMJXKJWTO-VKHMYHEASA-N |
| Fcsp3 | 0.5 |
| Logs | -1.027 |
| Rotatable Bond Count | 5.0 |
| Logd | -0.924 |
| Compound Name | 2-Amino-4-((carboxycarbonyl)amino)butanoic acid, (2S)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 190.059 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.059 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 190.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.1787886000000003 |
| Inchi | InChI=1S/C6H10N2O5/c7-3(5(10)11)1-2-8-4(9)6(12)13/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1 |
| Smiles | C(CNC(=O)C(=O)O)[C@@H](C(=O)O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lathyrus Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients