2-Amino-4-((carboxycarbonyl)amino)butanoic acid, (2R)-
PubChem CID: 14325471
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| Compound Synonyms | CSW6A5B12Z, 120902-34-3, UNII-CSW6A5B12Z, 2-Amino-4-((carboxycarbonyl)amino)butanoic acid, (2R)-, Butanoic acid, 2-amino-4-((carboxycarbonyl)amino)-, (R)-, D-gamma-N-Oxalyl-alpha,gamma-diaminobutyric acid, (2R)-2-amino-4-((carboxycarbonyl)amino)butanoic acid, Q27275740, D-.GAMMA.-N-OXALYL-.ALPHA.,.GAMMA.-DIAMINOBUTYRIC ACID |
|---|---|
| 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 | (2R)-2-amino-4-(oxaloamino)butanoic acid |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | -3.7 |
| Is Pains | False |
| Molecular Formula | C6H10N2O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DSBZQNMJXKJWTO-GSVOUGTGSA-N |
| Fcsp3 | 0.5 |
| Rotatable Bond Count | 5.0 |
| Compound Name | 2-Amino-4-((carboxycarbonyl)amino)butanoic acid, (2R)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 190.059 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| 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 | 1.7269390000000002 |
| 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-/m1/s1 |
| Smiles | C(CNC(=O)C(=O)O)[C@H](C(=O)O)N |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lathyrus Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients