Basic information
- CAS
93960-21-5- Standard SMILES
Cl.Cl.N[C@H](Cc1cccnc1)C(=O)O- InChIKey
XORPRVNSFLBKBG-XCUBXKJBSA-N- Molecular formula
- C8H12Cl2N2O2
- Average molar mass
- 239.1 g/mol
- Monoisotopic mass
- 238.027583
Overview
See also: D-3-Pyridylalanine.2HCl (annotation moved to).
Names & identifiers
- Preferred name
- 3-Pyridin-3-yl-D-alanine--hydrogen chloride (1/2)
- IUPAC
- (2R)-2-amino-3-pyridin-3-ylpropanoic acid;dihydrochloride
Names & synonyms
DTXSID305950753-Pyridin-3-yl-D-alanine--hydrogen chloride (1/2)RefChem:1068581DTXCID3054583893960-21-53-(3-Pyridyl)-D-alanine dihydrochloride(R)-2-Amino-3-(pyridin-3-yl)propanoic acid dihydrochlorideH-D-3-Pal-OH.2HClMFCD001911793-Pyridinepropanoic acid, a-amino-, dihydrochloride, (R)-(2R)-2-amino-3-pyridin-3-ylpropanoic acid;dihydrochlorideSCHEMBL10957459
Show more names
SY337806WS-01209CS-0201636N12543F6348963-(Pyridin-3-yl)-D-alanine--hydrogen chloride (1/2)(2R)-2-amino-3-(3-pyridyl)propanoic acid;dihydrochloride(R)-2-AMINO-3-(PYRIDIN-3-YL)PROPANOIC ACID 2HCL
Database identifiers
- CAS
93960-21-5- PubChem CID
- 18596366
- DTXSID
DTXSID30595075
Properties
Computed structural properties
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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