Basic information
- Standard SMILES
COC(=O)[C@@H](N)Cc1cccnc1.Cl.Cl- InChIKey
XNSHHLGNMODFNC-JZGIKJSDSA-N- Molecular formula
- C9H14Cl2N2O2
- Average molar mass
- 253.12 g/mol
Names & identifiers
- Preferred name
- H-Ala(3-pyridyl)-OMe.2HCl
- IUPAC
- methyl (2S)-2-amino-3-pyridin-3-ylpropanoate;dihydrochloride
Names & synonyms
327051-07-0H-Ala(3-pyridyl)-OMe.2HClMETHYL (S)-2-AMINO-3-(PYRIDIN-3-YL)PROPANOATE DIHYDROCHLORIDEMFCD01317721(S)-METHYL 2-AMINO-3-(PYRIDIN-3-YL)PROPANOATE DIHYDROCHLORIDEmethyl (2S)-2-amino-3-pyridin-3-ylpropanoate;dihydrochloride3-(3-pyridyl)alanine methyl ester dihydrochlorideSCHEMBL3290757XNSHHLGNMODFNC-JZGIKJSDSA-NSY486038G76190Y13865
Show more names
F764790beta-(3-pyridyl)alanine methyl ester dihydrochloridemethyl (2S)-2-amino-3-(3-pyridyl)propanoate;dihydrochloride3-(3-Pyridyl)-L-alanine methyl ester dihydrochloride (H-L-3Pal-OMe.2HCl)
Database identifiers
- PubChem CID
- 46862166
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
- 173
Related reactions
9 records
Compound notes
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