(2S)-2-(3-methoxy-2-oxo-1-pyridinyl)propanoic acid

C9H11NO4 — CID 93203665

IUPAC(2S)-2-(3-methoxy-2-oxo-1-pyridinyl)propanoic acid
SMILESCOc1cccn([C@@H](C)C(=O)O)c1=O
InChIInChI=1S/C9H11NO4/c1-6(9(12)13)10-5-3-4-7(14-2)8(10)11/h3-6H,1-2H3,(H,12,13)/t6-/m0/s1
InChIKeySRZPLXSAKRCVSZ-LURJTMIESA-N
MW197.19 g/mol
LogP0.50
Rot. Bonds3

About (2S)-2-(3-methoxy-2-oxo-1-pyridinyl)propanoic acid

(2S)-2-(3-methoxy-2-oxo-1-pyridinyl)propanoic acid (PubChem CID 93203665) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is (2S)-2-(3-methoxy-2-oxo-1-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(3-methoxy-2-oxo-1-pyridinyl)propanoic acid
PubChem CID93203665
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name(2S)-2-(3-methoxy-2-oxo-1-pyridinyl)propanoic acid
SMILESCOc1cccn([C@@H](C)C(=O)O)c1=O
InChIInChI=1S/C9H11NO4/c1-6(9(12)13)10-5-3-4-7(14-2)8(10)11/h3-6H,1-2H3,(H,12,13)/t6-/m0/s1
InChIKeySRZPLXSAKRCVSZ-LURJTMIESA-N
XLogP0.50
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[2-(4-methylbenzoyl)pyrrol-1-yl]propanoic acid
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2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid
CID 82063262
(2S)-2-[3-[(4-iodophenyl)methylsulfonylamino]-2-oxo-1-pyridinyl]propanoic acid
CID 58936521
2-(2,6-dimethoxyphenyl)-3-methylbutanoic acid
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1-(disulfanyl)-3-methoxypyridin-2-one
CID 175619878
2-amino-1-(8-methoxyindolizin-1-yl)propan-1-one
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2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]propanoic acid
CID 119134759

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxy-2-oxo-1-pyridinyl)propanoic acid?
The IUPAC name of (2S)-2-(3-methoxy-2-oxo-1-pyridinyl)propanoic acid (CID 93203665) is (2S)-2-(3-methoxy-2-oxo-1-pyridinyl)propanoic acid.
What is the SMILES notation for (2S)-2-(3-methoxy-2-oxo-1-pyridinyl)propanoic acid?
The canonical SMILES for (2S)-2-(3-methoxy-2-oxo-1-pyridinyl)propanoic acid is COc1cccn([C@@H](C)C(=O)O)c1=O.
What is the InChIKey of (2S)-2-(3-methoxy-2-oxo-1-pyridinyl)propanoic acid?
The InChIKey is SRZPLXSAKRCVSZ-LURJTMIESA-N. The full InChI is InChI=1S/C9H11NO4/c1-6(9(12)13)10-5-3-4-7(14-2)8(10)11/h3-6H,1-2H3,(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-(3-methoxy-2-oxo-1-pyridinyl)propanoic acid?
(2S)-2-(3-methoxy-2-oxo-1-pyridinyl)propanoic acid has a molecular weight of 197.19 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxy-2-oxo-1-pyridinyl)propanoic acid is sourced from PubChem (CID 93203665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).