2-Acetamido-2-phenylbutyric acid
Basic information
- CAS
4896-15-5- Standard SMILES
CCC(NC(C)=O)(C(=O)O)c1ccccc1- InChIKey
OMIBQLAHWCNOAZ-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- 2-Acetamido-2-phenylbutyric acid
- IUPAC
- 2-acetamido-2-phenylbutanoic acid
Names & synonyms
2-Acetamido-2-phenylbutyric acid2-acetamido-2-phenylbutanoic acid4896-15-5X8E0MO0I5GButyric acid, 2-acetamido-2-phenyl-UNII-X8E0MO0I5G2-Acetamido-2-phenylbutyric acid, (+/-)-Benzeneacetic acid, alpha-(acetylamino)-alpha-ethyl-SCHEMBL98295812-acetamido-2-phenylbutanoicacidAKOS013014223EN300-6551862
Show more names
Q27896477Z1147230614BENZENEACETIC ACID, .ALPHA.-(ACETYLAMINO)-.ALPHA.-ETHYL-
Database identifiers
- CAS
4896-15-5- PubChem CID
- 20131900
- UNII
- X8E0MO0I5G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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