Basic information
- CAS
84580-27-8- Standard SMILES
CC(C)CCOC(=O)C(N)c1ccccc1- InChIKey
OVJJILSKYWXGBM-UHFFFAOYSA-N- Molecular formula
- C13H19NO2
- Average molar mass
- 221.29 g/mol
- Monoisotopic mass
- 221.14157885
Overview
Phenamacide is an alpha-amino acid ester.
Names & identifiers
- Preferred name
- Phenamacide
- IUPAC
- 3-methylbutyl 2-amino-2-phenylacetate
Names & synonyms
Phenamacide84580-27-8UNII-X416815A1XX416815A1XPHENAMAZIDEPHENAMACIDE [WHO-DD]DTXSID8010167432-PHENYLGLYCINE ISOPENTYL ESTERPHENYLAMINOACETIC ACID ISOAMYL ESTERRefChem:172591DTXCID101453736(+-)-ALPHA-AMINOBENZENEACETIC ACID 3-METHYLBUTYL ESTER
Show more names
(+-)-.ALPHA.-AMINOBENZENEACETIC ACID 3-METHYLBUTYL ESTER3-methylbutyl 2-amino-2-phenylacetateSCHEMBL30190308CHEBI:1349093-Methylbutyl amino(phenyl)acetateALBB-023193AKOS003334348NS00009316
Database identifiers
- CAS
84580-27-8- PubChem CID
- 35719
- DTXSID
DTXSID801016743- ChEBI
CHEBI:134909- UNII
- X416815A1X
- Nikkaji
- J2.380.379H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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