3-[methyl(pyridin-3-yl)carbamoyl]oxetane-3-carboxylic acid

C11H12N2O4 — CID 115184956

IUPAC3-[methyl(pyridin-3-yl)carbamoyl]oxetane-3-carboxylic acid
SMILESCN(C(=O)C1(C(=O)O)COC1)c1cccnc1
InChIInChI=1S/C11H12N2O4/c1-13(8-3-2-4-12-5-8)9(14)11(10(15)16)6-17-7-11/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeyJVEMNMRGOLIADM-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.15
Rot. Bonds3

About 3-[methyl(pyridin-3-yl)carbamoyl]oxetane-3-carboxylic acid

3-[methyl(pyridin-3-yl)carbamoyl]oxetane-3-carboxylic acid (PubChem CID 115184956) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-[methyl(pyridin-3-yl)carbamoyl]oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(pyridin-3-yl)carbamoyl]oxetane-3-carboxylic acid
PubChem CID115184956
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name3-[methyl(pyridin-3-yl)carbamoyl]oxetane-3-carboxylic acid
SMILESCN(C(=O)C1(C(=O)O)COC1)c1cccnc1
InChIInChI=1S/C11H12N2O4/c1-13(8-3-2-4-12-5-8)9(14)11(10(15)16)6-17-7-11/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeyJVEMNMRGOLIADM-UHFFFAOYSA-N
XLogP0.15
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-[methyl(pyridin-3-yl)carbamoyl]oxetane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[methyl(pyridin-4-yl)carbamoyl]oxetane-3-carboxylic acid
CID 115184957
3-[(4-fluorophenyl)-methylcarbamoyl]oxetane-3-carboxylic acid
CID 115184938
N-methyl-N-pyridin-3-ylcarbamoyl chloride
CID 115194564
1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436939
[2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid
CID 174507293
5-[methyl(pyridin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427235
4-(hydroxymethyl)-N-methyl-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 115151182
3,3-dimethyl-4-[methyl(pyridin-3-yl)amino]-4-oxobutanoic acid
CID 115164800
2,2-difluoro-N,3-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 126766987
6-bromo-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide
CID 103889921
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
methyl 3-[dimethylamino(pyridin-3-yl)methyl]oxetane-3-carboxylate
CID 116912933

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pyridin-3-yl)carbamoyl]oxetane-3-carboxylic acid?
The IUPAC name of 3-[methyl(pyridin-3-yl)carbamoyl]oxetane-3-carboxylic acid (CID 115184956) is 3-[methyl(pyridin-3-yl)carbamoyl]oxetane-3-carboxylic acid.
What is the SMILES notation for 3-[methyl(pyridin-3-yl)carbamoyl]oxetane-3-carboxylic acid?
The canonical SMILES for 3-[methyl(pyridin-3-yl)carbamoyl]oxetane-3-carboxylic acid is CN(C(=O)C1(C(=O)O)COC1)c1cccnc1.
What is the InChIKey of 3-[methyl(pyridin-3-yl)carbamoyl]oxetane-3-carboxylic acid?
The InChIKey is JVEMNMRGOLIADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-13(8-3-2-4-12-5-8)9(14)11(10(15)16)6-17-7-11/h2-5H,6-7H2,1H3,(H,15,16).
What are the key properties of 3-[methyl(pyridin-3-yl)carbamoyl]oxetane-3-carboxylic acid?
3-[methyl(pyridin-3-yl)carbamoyl]oxetane-3-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pyridin-3-yl)carbamoyl]oxetane-3-carboxylic acid is sourced from PubChem (CID 115184956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).