2-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid

C14H18N2O3 — CID 122101524

IUPAC2-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1cc(CNC(=O)C2CCC2C(=O)O)cc(C)n1
InChIInChI=1S/C14H18N2O3/c1-8-5-10(6-9(2)16-8)7-15-13(17)11-3-4-12(11)14(18)19/h5-6,11-12H,3-4,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyGXXBIJXNTXPXCC-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.43
Rot. Bonds4

About 2-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid

2-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 122101524) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID122101524
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1cc(CNC(=O)C2CCC2C(=O)O)cc(C)n1
InChIInChI=1S/C14H18N2O3/c1-8-5-10(6-9(2)16-8)7-15-13(17)11-3-4-12(11)14(18)19/h5-6,11-12H,3-4,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyGXXBIJXNTXPXCC-UHFFFAOYSA-N
XLogP1.43
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122112666
2-[(4-chloro-3-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977329
2-[(3-methoxy-4-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975519
2-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974686
2-[(5-bromothiophen-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975664
2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975161
2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106390529
cis-(1R,2S)-2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 887867
2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 2933604
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
2-[[4-(4-fluorophenyl)sulfanylphenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977365

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 122101524) is 2-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid is Cc1cc(CNC(=O)C2CCC2C(=O)O)cc(C)n1.
What is the InChIKey of 2-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is GXXBIJXNTXPXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8-5-10(6-9(2)16-8)7-15-13(17)11-3-4-12(11)14(18)19/h5-6,11-12H,3-4,7H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 122101524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).