1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid

C15H20N2O3 — CID 115445284

IUPAC1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESCN(C)c1cccc(C(=O)NCC2(C(=O)O)CCC2)c1
InChIInChI=1S/C15H20N2O3/c1-17(2)12-6-3-5-11(9-12)13(18)16-10-15(14(19)20)7-4-8-15/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyNTCAZXWRQBHLLL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.74
Rot. Bonds5

About 1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid

1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115445284) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115445284
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESCN(C)c1cccc(C(=O)NCC2(C(=O)O)CCC2)c1
InChIInChI=1S/C15H20N2O3/c1-17(2)12-6-3-5-11(9-12)13(18)16-10-15(14(19)20)7-4-8-15/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyNTCAZXWRQBHLLL-UHFFFAOYSA-N
XLogP1.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115362491
3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 2108139
3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123540
1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362528
3-(dimethylamino)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 24564777
1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443395
1-[[[3-(difluoromethoxy)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369254
1-[(2H-benzotriazole-5-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362421
1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113352844
3-(dimethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301705
1-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544395
1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445281

Frequently Asked Questions

What is the IUPAC name of 1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid (CID 115445284) is 1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid is CN(C)c1cccc(C(=O)NCC2(C(=O)O)CCC2)c1.
What is the InChIKey of 1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is NTCAZXWRQBHLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-17(2)12-6-3-5-11(9-12)13(18)16-10-15(14(19)20)7-4-8-15/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid?
1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115445284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).