2-(Butylamino)-3-methylpentanoic acid
Basic information
- CAS
6964-49-4- Standard SMILES
CCCCNC(C(=O)O)C(C)CC- InChIKey
IHCWFFPGAOZJBF-UHFFFAOYSA-N- Molecular formula
- C10H21NO2
- Average molar mass
- 187.28 g/mol
- Monoisotopic mass
- 187.15722891
Names & identifiers
- Preferred name
- 2-(Butylamino)-3-methylpentanoic acid
- IUPAC
- 2-(butylamino)-3-methylpentanoic acid
Names & synonyms
6964-49-42-(butylamino)-3-methylpentanoic acidN-ButylisoleucineNSC67956SCHEMBL4704256DTXSID20328915NSC-67956
Database identifiers
- CAS
6964-49-4- PubChem CID
- 415257
- DTXSID
DTXSID20328915
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 148
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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