Basic information
- CAS
38991-87-6- Standard SMILES
O=C(O)CNC(=O)NC(Cc1ccccc1)C(=O)O- InChIKey
QPRPRCBDWMMBHF-UHFFFAOYSA-N- Molecular formula
- C12H14N2O5
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.09027155
Names & identifiers
- Preferred name
- N-[(Carboxymethyl)carbamoyl]phenylalanine
- IUPAC
- 2-(carboxymethylcarbamoylamino)-3-phenylpropanoic acid
Names & synonyms
38991-87-6NSC349119N-[(Carboxymethyl)carbamoyl]phenylalanineDTXSID30319672NSC-349119
Database identifiers
- CAS
38991-87-6- PubChem CID
- 336129
- DTXSID
DTXSID30319672
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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