(2R)-2-(2-oxo-1-pyridinyl)propanoic acid

C8H9NO3 — CID 94745802

IUPAC(2R)-2-(2-oxo-1-pyridinyl)propanoic acid
SMILESC[C@H](C(=O)O)n1ccccc1=O
InChIInChI=1S/C8H9NO3/c1-6(8(11)12)9-5-3-2-4-7(9)10/h2-6H,1H3,(H,11,12)/t6-/m1/s1
InChIKeyAMGZVLCLCSDDBR-ZCFIWIBFSA-N
MW167.16 g/mol
LogP0.49
Rot. Bonds2

About (2R)-2-(2-oxo-1-pyridinyl)propanoic acid

(2R)-2-(2-oxo-1-pyridinyl)propanoic acid (PubChem CID 94745802) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is (2R)-2-(2-oxo-1-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-oxo-1-pyridinyl)propanoic acid
PubChem CID94745802
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name(2R)-2-(2-oxo-1-pyridinyl)propanoic acid
SMILESC[C@H](C(=O)O)n1ccccc1=O
InChIInChI=1S/C8H9NO3/c1-6(8(11)12)9-5-3-2-4-7(9)10/h2-6H,1H3,(H,11,12)/t6-/m1/s1
InChIKeyAMGZVLCLCSDDBR-ZCFIWIBFSA-N
XLogP0.49
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-oxo-1-pyridinyl)propanoic acid?
The IUPAC name of (2R)-2-(2-oxo-1-pyridinyl)propanoic acid (CID 94745802) is (2R)-2-(2-oxo-1-pyridinyl)propanoic acid.
What is the SMILES notation for (2R)-2-(2-oxo-1-pyridinyl)propanoic acid?
The canonical SMILES for (2R)-2-(2-oxo-1-pyridinyl)propanoic acid is C[C@H](C(=O)O)n1ccccc1=O.
What is the InChIKey of (2R)-2-(2-oxo-1-pyridinyl)propanoic acid?
The InChIKey is AMGZVLCLCSDDBR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H9NO3/c1-6(8(11)12)9-5-3-2-4-7(9)10/h2-6H,1H3,(H,11,12)/t6-/m1/s1.
What are the key properties of (2R)-2-(2-oxo-1-pyridinyl)propanoic acid?
(2R)-2-(2-oxo-1-pyridinyl)propanoic acid has a molecular weight of 167.16 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-oxo-1-pyridinyl)propanoic acid is sourced from PubChem (CID 94745802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).