methyl (2S)-2-(2-hydroxyethylamino)propanoate
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Basic information
- CAS
782420-80-8- Standard SMILES
COC(=O)[C@H](C)NCCO- InChIKey
JTLHKIBBHINGPD-YFKPBYRVSA-N- Molecular formula
- C6H13NO3
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.08954328
Names & identifiers
- Preferred name
- methyl (2S)-2-(2-hydroxyethylamino)propanoate
- IUPAC
- methyl (2S)-2-(2-hydroxyethylamino)propanoate
- English name
- L-Alanine, N-(2-hydroxyethyl)-, methyl ester (9CI)
- Molecular formula
- C6H13NO3
- Molecular weight
- 147.17232
Names & synonyms
782420-80-8L-Alanine, N-(2-hydroxyethyl)-, methyl ester (9CI)
Database identifiers
- CAS
782420-80-8- PubChem CID
- 15685247
Properties
Computed structural propertiesFilling in
- XLogP
- -0.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Related reactions
0 records
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Compound notes
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