Basic information
- CAS
64896-30-6- Standard SMILES
CC(=O)NC(=CC(C)C)C(=O)O- InChIKey
HKRUIYBBGZRHRU-UHFFFAOYSA-N- Molecular formula
- C8H13NO3
- Average molar mass
- 171.19 g/mol
- Monoisotopic mass
- 171.08954328
Names & identifiers
- Preferred name
- 2-Pentenoic acid, 2-(acetylamino)-4-methyl-, (Z)-
- IUPAC
- 2-acetamido-4-methylpent-2-enoic acid
Names & synonyms
2-Pentenoic acid, 2-(acetylamino)-4-methyl-, (Z)-DTXSID00337045RefChem:265036DTXCID902881332-acetamido-4-methylpent-2-enoic acid64896-30-6SCHEMBL86526972-acetylamino-4-methylpent-2-enoic acid
Database identifiers
- CAS
64896-30-6、74839-85-3- PubChem CID
- 538152
- DTXSID
DTXSID00337045
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 218
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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