2-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]benzoic acid

C16H22N2O3 — CID 105414289

IUPAC2-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]benzoic acid
SMILESCN(CC1(N(C)C)CCC1)C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-17(2)16(9-6-10-16)11-18(3)14(19)12-7-4-5-8-13(12)15(20)21/h4-5,7-8H,6,9-11H2,1-3H3,(H,20,21)
InChIKeyMMHROQAOFXWHMB-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.94
Rot. Bonds5

About 2-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]benzoic acid

2-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]benzoic acid (PubChem CID 105414289) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]benzoic acid
PubChem CID105414289
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]benzoic acid
SMILESCN(CC1(N(C)C)CCC1)C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-17(2)16(9-6-10-16)11-18(3)14(19)12-7-4-5-8-13(12)15(20)21/h4-5,7-8H,6,9-11H2,1-3H3,(H,20,21)
InChIKeyMMHROQAOFXWHMB-UHFFFAOYSA-N
XLogP1.94
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid
CID 105420013
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-3-carboxamide
CID 105420068
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 105418504
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-4-carboxamide
CID 105420080
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxy-N-methylbenzamide
CID 105418511
2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-N-methylbenzamide
CID 105413428
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 105416291
N-[[1-(dimethylamino)cyclobutyl]methyl]-N,5-dimethyl-2-(methylamino)benzamide
CID 105420415
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-3-(methylamino)pyridine-4-carboxamide
CID 105420403
4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide
CID 105418027
4-amino-2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzoic acid
CID 105420191
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 105420387

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]benzoic acid?
The IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]benzoic acid (CID 105414289) is 2-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]benzoic acid.
What is the SMILES notation for 2-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]benzoic acid?
The canonical SMILES for 2-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]benzoic acid is CN(CC1(N(C)C)CCC1)C(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]benzoic acid?
The InChIKey is MMHROQAOFXWHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-17(2)16(9-6-10-16)11-18(3)14(19)12-7-4-5-8-13(12)15(20)21/h4-5,7-8H,6,9-11H2,1-3H3,(H,20,21).
What are the key properties of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]benzoic acid?
2-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]benzoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]benzoic acid is sourced from PubChem (CID 105414289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).