(2S)-2-(carbamoylamino)propanoic acid
Formula:C4H8N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S)-2-(carbamoylamino)propanoic acid is a drug-like molecule.
| MolName | (2S)-2-(carbamoylamino)propanoic acid |
| MolecularFormula | C4H8N2O3 |
| Smiles | C[C@@H](C(O)=O)NC(N)=O |
| InChI | InChI=1S/C4H8N2O3/c1-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)/t2-/m0/s1 |
| InChIK | LUSWEUMSEVLFEQ-REOHCLBHSA-N |
| TotalMolweight | 132.119 |
| Molweight | 132.119 |
| MonoisotopicMass | 132.053493 |
| CLogP | -1.4786 |
| CLogS | -0.867 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 100.09 |
| Relative PSA | 0.65851 |
| PolarSurfaceArea | 92.42 |
| Druglikeness | -1.9868 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Sp3Atoms | 3 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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