3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid

C11H15NO3 — CID 166178290

IUPAC3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(C(=O)N2CC=CCC2)C1
InChIInChI=1S/C11H15NO3/c13-10(12-4-2-1-3-5-12)8-6-9(7-8)11(14)15/h1-2,8-9H,3-7H2,(H,14,15)
InChIKeyDYCUBWVKXNQNGY-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.89
Rot. Bonds2

About 3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid

3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid (PubChem CID 166178290) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid
PubChem CID166178290
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(C(=O)N2CC=CCC2)C1
InChIInChI=1S/C11H15NO3/c13-10(12-4-2-1-3-5-12)8-6-9(7-8)11(14)15/h1-2,8-9H,3-7H2,(H,14,15)
InChIKeyDYCUBWVKXNQNGY-UHFFFAOYSA-N
XLogP0.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103551261
(3-aminocyclohexyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 104530546
(2R)-1-(3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 104921458
3,6-dihydro-2H-pyridin-1-yl-[(2R)-piperidin-2-yl]methanone
CID 104921213
1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid
CID 64767255
2-(2,5-dihydropyrrole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 131160531
2-bromo-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 114408452
2-[1-(3,6-dihydro-2H-pyridine-1-carbonyl)azetidin-3-yl]acetic acid
CID 114411788
cis-(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 139534269
6-azaspiro[2.5]octan-2-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409039
3,6-dihydro-2H-pyridin-1-yl-[3-[[1-methyl-4-[(3-methylcyclohexyl)amino]-1,3-diazinan-2-yl]amino]cyclohexyl]methanone
CID 144703197
1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918202

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid (CID 166178290) is 3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid is O=C(O)C1CC(C(=O)N2CC=CCC2)C1.
What is the InChIKey of 3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid?
The InChIKey is DYCUBWVKXNQNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c13-10(12-4-2-1-3-5-12)8-6-9(7-8)11(14)15/h1-2,8-9H,3-7H2,(H,14,15).
What are the key properties of 3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid?
3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid has a molecular weight of 209.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 166178290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).