(2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid

C8H9ClN2O2 — CID 103693022

IUPAC(2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid
SMILESN[C@@H](Cc1ccncc1Cl)C(=O)O
InChIInChI=1S/C8H9ClN2O2/c9-6-4-11-2-1-5(6)3-7(10)8(12)13/h1-2,4,7H,3,10H2,(H,12,13)/t7-/m0/s1
InChIKeyOCQHBVISBRPALA-ZETCQYMHSA-N
MW200.63 g/mol
LogP0.69
Rot. Bonds3

About (2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid

(2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid (PubChem CID 103693022) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid
PubChem CID103693022
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Name(2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid
SMILESN[C@@H](Cc1ccncc1Cl)C(=O)O
InChIInChI=1S/C8H9ClN2O2/c9-6-4-11-2-1-5(6)3-7(10)8(12)13/h1-2,4,7H,3,10H2,(H,12,13)/t7-/m0/s1
InChIKeyOCQHBVISBRPALA-ZETCQYMHSA-N
XLogP0.69
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid
CID 55267324
(2S)-2-amino-3-(4-cyano-3-pyridinyl)propanoic acid
CID 130672000
2-(2-chlorophenyl)-3-(3-chloro-4-pyridinyl)propanoic acid
CID 79439912
(3-chloro-4-pyridinyl)methylcarbamic acid
CID 176952397
5-chloro-3-[(3-chloro-4-pyridinyl)methyl]pentan-2-one
CID 103344218
(2S)-2-amino-3-(2,5-dichlorophenyl)propanoic acid;hydrochloride
CID 71741657
(2R)-2-amino-3-(5-amino-2-chlorophenyl)propanoic acid
CID 130690220
1-(3-chloro-4-pyridinyl)-3-methylbutan-2-one
CID 64989470
2-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 22326364
(2S)-2-amino-3-(2-chloro-5-methylphenyl)propanoic acid
CID 130839032
2-amino-3-(4,6-dichloro-3-pyridinyl)propanoic acid
CID 130041515
(2S)-2-[(3-chloro-4-pyridinyl)methoxy]propanoic acid
CID 104876476

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid (CID 103693022) is (2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid is N[C@@H](Cc1ccncc1Cl)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid?
The InChIKey is OCQHBVISBRPALA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c9-6-4-11-2-1-5(6)3-7(10)8(12)13/h1-2,4,7H,3,10H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid?
(2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid has a molecular weight of 200.63 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid is sourced from PubChem (CID 103693022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).