(2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylic acid

C6H7NO3 — CID 15233514

IUPAC(2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylic acid
SMILESO=C1C=CC[C@@H](C(=O)O)N1
InChIInChI=1S/C6H7NO3/c8-5-3-1-2-4(7-5)6(9)10/h1,3-4H,2H2,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKeyLPOSNJQWOACRGS-BYPYZUCNSA-N
MW141.13 g/mol
LogP-0.48
Rot. Bonds1

About (2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylic acid

(2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylic acid (PubChem CID 15233514) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is (2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylic acid
PubChem CID15233514
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name(2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylic acid
SMILESO=C1C=CC[C@@H](C(=O)O)N1
InChIInChI=1S/C6H7NO3/c8-5-3-1-2-4(7-5)6(9)10/h1,3-4H,2H2,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKeyLPOSNJQWOACRGS-BYPYZUCNSA-N
XLogP-0.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylic acid?
The IUPAC name of (2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylic acid (CID 15233514) is (2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for (2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylic acid?
The canonical SMILES for (2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylic acid is O=C1C=CC[C@@H](C(=O)O)N1.
What is the InChIKey of (2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylic acid?
The InChIKey is LPOSNJQWOACRGS-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H7NO3/c8-5-3-1-2-4(7-5)6(9)10/h1,3-4H,2H2,(H,7,8)(H,9,10)/t4-/m0/s1.
What are the key properties of (2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylic acid?
(2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylic acid has a molecular weight of 141.13 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 15233514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).