N-(2-Phenylethyl)aspartic acid
Basic information
- CAS
5872-49-1- Standard SMILES
O=C(O)CC(NCCc1ccccc1)C(=O)O- InChIKey
MUCWEAHFBIHWCX-UHFFFAOYSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.10010796
Names & identifiers
- Preferred name
- N-(2-Phenylethyl)aspartic acid
- IUPAC
- 2-(2-phenylethylamino)butanedioic acid
- English name
- DL-N-Phenethylaspartic acid
- Molecular formula
- C12H15NO4
- Molecular weight
- 237.25
Names & synonyms
5872-49-1N-(2-phenylethyl)aspartic acidDTXSID70974244RefChem:1091088DTXCID001401675DL-N-Phenethylaspartic acid2-(2-phenylethylamino)butanedioic acidAcido N-fenetil-DL-aspartico [Italian]BRN 2943891Acido N-fenetil-DL-asparticoASPARTIC ACID, N-PHENETHYL-, DL-SCHEMBL19419061
Show more names
Aspartic acid, N-(2-phenylethyl)-
DB-326243
Database identifiers
- CAS
5872-49-1- PubChem CID
- 22165
- DTXSID
DTXSID70974244
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
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Compound notes
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