1-[(2-methyl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid

C12H14N2O3 — CID 79044431

IUPAC1-[(2-methyl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1ncccc1NC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C12H14N2O3/c1-8-9(4-2-7-13-8)14-10(15)12(11(16)17)5-3-6-12/h2,4,7H,3,5-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyCBXCMYJQQAPSQJ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.58
Rot. Bonds3

About 1-[(2-methyl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid

1-[(2-methyl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 79044431) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-[(2-methyl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID79044431
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-[(2-methyl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1ncccc1NC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C12H14N2O3/c1-8-9(4-2-7-13-8)14-10(15)12(11(16)17)5-3-6-12/h2,4,7H,3,5-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyCBXCMYJQQAPSQJ-UHFFFAOYSA-N
XLogP1.58
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(pyrimidin-2-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62095217
1-[(3-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095862
1-[2-[(2-methyl-3-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79041898
1-[(2-methyl-4-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 79240228
3-methyl-N-(2-methyl-3-pyridinyl)piperidine-3-carboxamide
CID 79043969
N-(2-methyl-3-pyridinyl)azetidine-3-carboxamide
CID 79044396
1-[(2,3-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62095401
4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 79043834
1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095693
1-[(3-fluoro-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096644
4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79043144
2,3-dimethyl-4-[(2-methyl-3-pyridinyl)amino]-4-oxobut-2-enoic acid
CID 79042487

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-methyl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 79044431) is 1-[(2-methyl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methyl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methyl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid is Cc1ncccc1NC(=O)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[(2-methyl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is CBXCMYJQQAPSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8-9(4-2-7-13-8)14-10(15)12(11(16)17)5-3-6-12/h2,4,7H,3,5-6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 1-[(2-methyl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid?
1-[(2-methyl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 79044431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).