Basic information
- Standard SMILES
COC(=O)[C@@H](N)Cc1ccncc1.Cl.Cl- InChIKey
OJOPNWQHOBRSSR-JZGIKJSDSA-N- Molecular formula
- C9H14Cl2N2O2
- Average molar mass
- 253.12 g/mol
Overview
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Names & identifiers
- Preferred name
- methyl (2S)-2-amino-3-pyridin-4-ylpropanoate;dihydrochloride
- IUPAC
- methyl (2S)-2-amino-3-pyridin-4-ylpropanoate;dihydrochloride
Names & synonyms
200872-45-3methyl (2S)-2-amino-3-(pyridin-4-yl)propanoate dihydrochlorideSCHEMBL5494194OJOPNWQHOBRSSR-JZGIKJSDSA-N3-(4-pyridyl)alanine methyl ester dihydrochlorideMethyl (S)-2-amino-3-(pyridin-4-yl)propanoate dihydrochloride
Database identifiers
- PubChem CID
- 69462863
Properties
Computed structural properties
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 167
Related reactions
2 records
Compound notes
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