L-Alanine, 1-ethylpropyl ester
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Basic information
- CAS
767617-08-3- Standard SMILES
CCC(CC)OC(=O)[C@H](C)N- InChIKey
ZGHFJBPGBHLBQI-LURJTMIESA-N- Molecular formula
- C8H17NO2
- Average molar mass
- 159.23 g/mol
Names & identifiers
- Preferred name
- L-Alanine, 1-ethylpropyl ester
- IUPAC
- pentan-3-yl (2S)-2-aminopropanoate
- English name
- L-Alanine, 1-ethylpropyl ester (9CI)
- Molecular formula
- C8H17NO2
- Molecular weight
- 159.22608
Names & synonyms
SCHEMBL11882162L-ALANINE, 1-ETHYLPROPYL ESTER767617-08-3DB-276968L-Alanine, 1-ethylpropyl ester (9CI)
Database identifiers
- CAS
767617-08-3
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Related reactions
0 records
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Compound notes
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