1-[(6-methyl-2-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid

C13H16N2O3 — CID 62307208

IUPAC1-[(6-methyl-2-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1cccc(CNC(=O)C2(C(=O)O)CCC2)n1
InChIInChI=1S/C13H16N2O3/c1-9-4-2-5-10(15-9)8-14-11(16)13(12(17)18)6-3-7-13/h2,4-5H,3,6-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyGZEQCULBBBYPMY-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.26
Rot. Bonds4

About 1-[(6-methyl-2-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid

1-[(6-methyl-2-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 62307208) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID62307208
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-[(6-methyl-2-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1cccc(CNC(=O)C2(C(=O)O)CCC2)n1
InChIInChI=1S/C13H16N2O3/c1-9-4-2-5-10(15-9)8-14-11(16)13(12(17)18)6-3-7-13/h2,4-5H,3,6-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyGZEQCULBBBYPMY-UHFFFAOYSA-N
XLogP1.26
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.26
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

2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
CID 62306859
1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 56817614
1-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 115913622
N-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 61150907
N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 86841366
1-(thiophen-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096590
2-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclopentane-1-carboxylic acid
CID 79261219
1-[(6-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62097117
[1-[(6-methyl-2-pyridinyl)methylamino]cyclopentyl]methanol
CID 79268223
1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097630
2-[1-[(6-methyl-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 62675042
2-(cyclopropylamino)-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 62306837

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 62307208) is 1-[(6-methyl-2-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid is Cc1cccc(CNC(=O)C2(C(=O)O)CCC2)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is GZEQCULBBBYPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-4-2-5-10(15-9)8-14-11(16)13(12(17)18)6-3-7-13/h2,4-5H,3,6-8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 1-[(6-methyl-2-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
1-[(6-methyl-2-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62307208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).