3-Amino-N-(carboxycarbonyl)-L-alanine
PubChem CID: 6454151
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| Compound Synonyms | 3-Amino-N-(carboxycarbonyl)-L-alanine, 61277-72-3, CS0AWD2ICJ, UNII-CS0AWD2ICJ, L-Alanine, 3-amino-N-(carboxycarbonyl)-, 2-N-OXALYL-L-2,3-DIAMINOPROPIONIC ACID, .ALPHA.-N-OXALO-L-.ALPHA.,.BETA.-DIAMINOPROPIONIC ACID, (2S)-3-amino-2-(oxaloamino)propanoic acid, 3-Amino-N-oxaloalanine, DTXSID50976766, (S)-3-Amino-2-(carboxyformamido)propanoic acid, Q27275726, ALPHA-N-OXALO-L-ALPHA,BETA-DIAMINOPROPIONIC ACID |
|---|---|
| Topological Polar Surface Area | 130.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 214.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-3-amino-2-(oxaloamino)propanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -4.1 |
| Molecular Formula | C5H8N2O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FNXJKVNOUQAQMB-REOHCLBHSA-N |
| Fcsp3 | 0.4 |
| Logs | -0.794 |
| Rotatable Bond Count | 4.0 |
| Logd | -1.421 |
| Compound Name | 3-Amino-N-(carboxycarbonyl)-L-alanine |
| 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 |
| Esol | 1.9747064 |
| Inchi | InChI=1S/C5H8N2O5/c6-1-2(4(9)10)7-3(8)5(11)12/h2H,1,6H2,(H,7,8)(H,9,10)(H,11,12)/t2-/m0/s1 |
| Smiles | C([C@@H](C(=O)O)NC(=O)C(=O)O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capparis Masaikai (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Pityrogramma Tartarea (Plant) Rel Props:Source_db:cmaup_ingredients