Basic information
- Standard SMILES
CC(C)C(N)C(=O)OCc1ccccc1- InChIKey
YIRBOOICRQFSOK-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
Names & identifiers
- Preferred name
- Benzyl 2-amino-3-methylbutanoate
- IUPAC
- benzyl 2-amino-3-methylbutanoate
Names & synonyms
VALINE BENZYL ESTER17645-51-1benzyl 2-amino-3-methylbutanoatebenzyl valinateBenzyl (2S)-2-amino-3-methyl-butanoateSCHEMBL542444SCHEMBL2868319benzyl2-amino-3-methylbutanoateYIRBOOICRQFSOK-UHFFFAOYSA-benzyl 2-amino-3-methyl-butanoateAKOS010530437HY-W037555
Show more names
DA-68525PD197014CS-0093934EN300-66339InChI=1/C12H17NO2/c1-9(2)11(13)12(14)15-8-10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3
Database identifiers
- PubChem CID
- 4640555
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 198
Related reactions
9 records
Compound notes
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