Basic information
- CAS
42031-13-0- Standard SMILES
CCCCOC(=O)C(N)CC(C)C- InChIKey
HYPLQEHLQMSBKE-UHFFFAOYSA-N- Molecular formula
- C10H21NO2
- Average molar mass
- 187.28 g/mol
- Monoisotopic mass
- 187.15722891
Names & identifiers
- Preferred name
- Butyl 2-amino-4-methylpentanoate
- IUPAC
- butyl 2-amino-4-methylpentanoate
Names & synonyms
butyl 2-amino-4-methylpentanoate42031-13-0Leucine, butyl esterBUTYL 2-AMINO-4-METHYL-PENTANOATEButyl leucinateLeucine butyl esterL-Leucine, butyl esterLeucine, butyl ester (NIST)SCHEMBL8964483DTXSID70328703HYPLQEHLQMSBKE-UHFFFAOYSA-N
Database identifiers
- CAS
42031-13-0- PubChem CID
- 413337
- DTXSID
DTXSID70328703
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 146
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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