Basic information
- CAS
6328-87-6- Standard SMILES
CC(C)CC(NCCC#N)C(=O)O- InChIKey
LDJILTICAUJGMO-UHFFFAOYSA-N- Molecular formula
- C9H16N2O2
- Average molar mass
- 184.24 g/mol
- Monoisotopic mass
- 184.12117776
Names & identifiers
- Preferred name
- L-Leucine, N-(2-cyanoethyl)-
- IUPAC
- 2-(2-cyanoethylamino)-4-methylpentanoic acid
Names & synonyms
L-Leucine, N-(2-cyanoethyl)-6328-87-6WLN: NC2MYVQ1Y1&1NSC44011N-(2-Cyanoethyl)leucine #SCHEMBL11583484LDJILTICAUJGMO-UHFFFAOYSA-NL-Leucine, N-(2-cyanoethyl)- [NSC56827NSC-44011NSC-56827AKOS012258852
Show more names
Pentanoic acid, 2-(2-cyanoethylamino)-4-methyl-
Database identifiers
- CAS
6328-87-6- PubChem CID
- 239178
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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