(2S)-2-(carbamoylamino)-3-(1H-indol-3-yl)propanoic acid
(2S)-2-(carbamoylamino)-3-(1H-indol-3-yl)propanoic acid
Also Known As: N-Carbamyltryptophan|N-carbamoyltryptophan|Carbamoyl-L-tryptophan|Tryptophan impurity 39|Tadalafil Impurity 120|(2S)-2-(carbamoylamino)-3-(1H-indol-3-yl)propanoic acid|D-Tryptophan,N-(aminocarbonyl)-|Nalpha-(Aminocarbonyl)-L-tryptophan|J1.453.707D|(S)-3-(1H-indol-3-yl)-2-ureidopropanoic acid|(2S)-2-[(aminocarbonyl)amino]-3-(1H-indol-3-yl)propanoic acid|(2S)-2-(carbamoylamino)-3-(1H-indol-3-yl)propanoicacid|(S)-2-(Carbamoylamino)-3-(1H-indole-3-yl)propanoic acid
| Molecular Formula | C12H13N3O3 |
|---|---|
| Molecular Weight | 247.09569 g/mol |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.09569 |
| Monoisotopic Mass | 247.09569 |
| Heavy Atoms | 18 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 54896-75-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)N |
| InChIKey | NWLXJVDJMARXSP-JTQLQIEISA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2S)-2-(carbamoylamino)-3-(1H-indol-3-yl)propanoic acid (CAS 54896-75-2), with molecular formula C12H13N3O3 and molecular weight 247.09569 g/mol. IUPAC: (2S)-2-(carbamoylamino)-3-(1H-indol-3-yl)propanoic acid.