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

C8H9ClN2O2 — CID 22326364

IUPAC2-amino-3-(2-chloro-3-pyridinyl)propanoic acid
SMILESNC(Cc1cccnc1Cl)C(=O)O
InChIInChI=1S/C8H9ClN2O2/c9-7-5(2-1-3-11-7)4-6(10)8(12)13/h1-3,6H,4,10H2,(H,12,13)
InChIKeyAUQSTZZDULUDDX-UHFFFAOYSA-N
MW200.63 g/mol
LogP0.69
Rot. Bonds3

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

2-amino-3-(2-chloro-3-pyridinyl)propanoic acid (PubChem CID 22326364) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is 2-amino-3-(2-chloro-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-chloro-3-pyridinyl)propanoic acid
PubChem CID22326364
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Name2-amino-3-(2-chloro-3-pyridinyl)propanoic acid
SMILESNC(Cc1cccnc1Cl)C(=O)O
InChIInChI=1S/C8H9ClN2O2/c9-7-5(2-1-3-11-7)4-6(10)8(12)13/h1-3,6H,4,10H2,(H,12,13)
InChIKeyAUQSTZZDULUDDX-UHFFFAOYSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid
CID 139894647
2-amino-3-[2-(difluoromethyl)-3-pyridinyl]propanoic acid
CID 84681612
(2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid
CID 127019845
2-amino-3-(2-ethoxy-3-pyridinyl)propanoic acid
CID 170879502
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
2-amino-3-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid
CID 69488505
2-amino-3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid
CID 130039616
2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid
CID 154976329
2-amino-3-furo[2,3-b]pyridin-3-ylpropanoic acid
CID 84778964
2-amino-2-(2-chloro-3-pyridinyl)acetic acid
CID 55270966
(2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid
CID 103693022
2-amino-3-(3-methyl-2-pyridinyl)propanoic acid
CID 3379209

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-chloro-3-pyridinyl)propanoic acid?
The IUPAC name of 2-amino-3-(2-chloro-3-pyridinyl)propanoic acid (CID 22326364) is 2-amino-3-(2-chloro-3-pyridinyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-chloro-3-pyridinyl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-chloro-3-pyridinyl)propanoic acid is NC(Cc1cccnc1Cl)C(=O)O.
What is the InChIKey of 2-amino-3-(2-chloro-3-pyridinyl)propanoic acid?
The InChIKey is AUQSTZZDULUDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c9-7-5(2-1-3-11-7)4-6(10)8(12)13/h1-3,6H,4,10H2,(H,12,13).
What are the key properties of 2-amino-3-(2-chloro-3-pyridinyl)propanoic acid?
2-amino-3-(2-chloro-3-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 2-amino-3-(2-chloro-3-pyridinyl)propanoic acid is sourced from PubChem (CID 22326364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).