Basic information
- CAS
849487-80-5- Standard SMILES
CCC[C@@H](C)[C@@H](C)[C@H](N)CC(=O)O- InChIKey
HLISOYNJVMWYQM-IWSPIJDZSA-N- Molecular formula
- C10H21NO2
- Average molar mass
- 187.28 g/mol
- Monoisotopic mass
- 187.15722891
Names & identifiers
- Preferred name
- (3r,4r,5r)-3-Amino-4,5-dimethyloctanoic acid
- IUPAC
- (3R,4R,5R)-3-amino-4,5-dimethyloctanoic acid
Names & synonyms
V4SR7E5XFK(3r,4r,5r)-3-amino-4,5-dimethyloctanoic acidSCHEMBL121853HLISOYNJVMWYQM-IWSPIJDZSA-N(3R,4R,5R)-3-Amino-4,5-dimethyl-octanoic Acid3-Amino-4,5-dimethyloctanoic acid, (3R,4R,5R)-849487-80-5
Database identifiers
- CAS
849487-80-5- PubChem CID
- 11480903
- UNII
- V4SR7E5XFK
- Nikkaji
- J2.691.230J
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Related reactions
4 records
Compound notes
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