Basic information
- CAS
5105-63-5- Standard SMILES
CC(C)CC(N)C(=O)NC(C)C#N- InChIKey
FWBRQCXGZQIHOY-UHFFFAOYSA-N- Molecular formula
- C9H17N3O
- Average molar mass
- 183.25 g/mol
- Monoisotopic mass
- 183.13716217
Names & identifiers
- Preferred name
- 2-Amino-N-(1-cyanoethyl)-4-methylpentanimidic acid
- IUPAC
- 2-amino-N-(1-cyanoethyl)-4-methylpentanamide
Names & synonyms
5105-63-5DTXSID309653352-Amino-N-(1-cyanoethyl)-4-methylpentanimidic acidRefChem:1062223DTXCID801393006Leucinamide, N-(1-cyanoethyl)-, (-)-L-LeucylalanylnitrileBRN 1864923
Database identifiers
- CAS
5105-63-5- PubChem CID
- 199849
- DTXSID
DTXSID30965335
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 216
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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