(2Z)-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-(oxan-2-yloxyimino)acetic acid

C13H16N2O5 — CID 135604503

IUPAC(2Z)-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-(oxan-2-yloxyimino)acetic acid
SMILESCc1ccc(/C(=N/OC2CCCCO2)C(=O)O)c(=O)[nH]1
InChIInChI=1S/C13H16N2O5/c1-8-5-6-9(12(16)14-8)11(13(17)18)15-20-10-4-2-3-7-19-10/h5-6,10H,2-4,7H2,1H3,(H,14,16)(H,17,18)/b15-11-
InChIKeyKHIYTRUQSKDUNL-PTNGSMBKSA-N
MW280.28 g/mol
LogP1.02
Rot. Bonds4

About (2Z)-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-(oxan-2-yloxyimino)acetic acid

(2Z)-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-(oxan-2-yloxyimino)acetic acid (PubChem CID 135604503) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is (2Z)-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-(oxan-2-yloxyimino)acetic acid.

Molecular Properties

Compound Name(2Z)-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-(oxan-2-yloxyimino)acetic acid
PubChem CID135604503
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name(2Z)-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-(oxan-2-yloxyimino)acetic acid
SMILESCc1ccc(/C(=N/OC2CCCCO2)C(=O)O)c(=O)[nH]1
InChIInChI=1S/C13H16N2O5/c1-8-5-6-9(12(16)14-8)11(13(17)18)15-20-10-4-2-3-7-19-10/h5-6,10H,2-4,7H2,1H3,(H,14,16)(H,17,18)/b15-11-
InChIKeyKHIYTRUQSKDUNL-PTNGSMBKSA-N
XLogP1.02
TPSA100.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid
CID 140971142
4-methyl-2-(oxan-2-yloxyimino)pentanoic acid
CID 54004954
3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 86768773
6-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 95976180
2-hydroxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid
CID 140985567
(2Z)-N-methyl-2-(oxan-2-yloxyimino)-3-phenylpropanamide
CID 59421110
4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 115730889
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 71873396
3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 103863308
1-[4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55867890
methyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate
CID 115610744
2-[4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholin-2-yl]acetic acid
CID 115731600

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-(oxan-2-yloxyimino)acetic acid?
The IUPAC name of (2Z)-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-(oxan-2-yloxyimino)acetic acid (CID 135604503) is (2Z)-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-(oxan-2-yloxyimino)acetic acid.
What is the SMILES notation for (2Z)-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-(oxan-2-yloxyimino)acetic acid?
The canonical SMILES for (2Z)-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-(oxan-2-yloxyimino)acetic acid is Cc1ccc(/C(=N/OC2CCCCO2)C(=O)O)c(=O)[nH]1.
What is the InChIKey of (2Z)-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-(oxan-2-yloxyimino)acetic acid?
The InChIKey is KHIYTRUQSKDUNL-PTNGSMBKSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-8-5-6-9(12(16)14-8)11(13(17)18)15-20-10-4-2-3-7-19-10/h5-6,10H,2-4,7H2,1H3,(H,14,16)(H,17,18)/b15-11-.
What are the key properties of (2Z)-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-(oxan-2-yloxyimino)acetic acid?
(2Z)-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-(oxan-2-yloxyimino)acetic acid has a molecular weight of 280.28 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-(oxan-2-yloxyimino)acetic acid is sourced from PubChem (CID 135604503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).