2-[(4-Chlorophenyl)carbamoylamino]propanoic acid
Basic information
- CAS
1396994-81-2- Standard SMILES
CC(NC(=O)Nc1ccc(Cl)cc1)C(=O)O- InChIKey
NPBMFLBWLQUVAV-UHFFFAOYSA-N- Molecular formula
- C10H11ClN2O3
- Average molar mass
- 242.66 g/mol
- Monoisotopic mass
- 242.0458199
Names & identifiers
- Preferred name
- 2-[(4-Chlorophenyl)carbamoylamino]propanoic acid
- IUPAC
- 2-[(4-chlorophenyl)carbamoylamino]propanoic acid
- English name
- (2R)-2-([[(4-CHLOROPHENYL)AMINO]CARBONYL]AMINO)PROPANOIC ACID
- Molecular formula
- C10H11ClN2O3
- Molecular weight
- 242.66
Names & synonyms
1396994-81-22-[(4-chlorophenyl)carbamoylamino]propanoic acid2-{[(4-chlorophenyl)carbamoyl]amino}propanoic acid(2R)-2-(([(4-Chlorophenyl)amino]carbonyl)amino)propanoic acid(2R)-2-({[(4-chlorophenyl)amino]carbonyl}amino)propanoic acidSCHEMBL6374142MFCD08448704AKOS000205410ST51002779EN300-869582-{[(4-chlorophenyl)carbamoyl]amino}propanoicacid2-{[(4-chlorophenyl)amino]carbonylamino}propanoic acid
Show more names
Alanine, N-[[(4-chlorophenyl)amino]carbonyl]-(2R)-2-([[(4-CHLOROPHENYL)AMINO]CARBONYL]AMINO)PROPANOIC ACID
Database identifiers
- CAS
1396994-81-2- PubChem CID
- 437527
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Boiling point
- 399.4 · 399.4±42.0 °C(Predicted)
- Density
- 1.416 · 1.416±0.06 g/cm3(Predicted)
- pka
- 3.75 · 3.75±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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