4-[(4-Methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid
Basic information
- CAS
4812-71-9- Standard SMILES
CC(C)C(CCc1ccccc1)NC(=O)C=CC(=O)O- InChIKey
OKGJLFMCKIQASQ-UHFFFAOYSA-N- Molecular formula
- C16H21NO3
- Average molar mass
- 275.34 g/mol
- Monoisotopic mass
- 275.15214353
Names & identifiers
- Preferred name
- 4-[(4-Methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid
- IUPAC
- 4-[(4-methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid
Names & synonyms
4812-71-94-[(4-methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acidDTXSID60281777
Database identifiers
- CAS
4812-71-9- PubChem CID
- 229368
- DTXSID
DTXSID60281777
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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