1-[[3-(dimethylcarbamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid

C16H20N2O4 — CID 119350549

IUPAC1-[[3-(dimethylcarbamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(C)C(=O)c1cccc(C(=O)NC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C16H20N2O4/c1-18(2)14(20)12-7-5-6-11(10-12)13(19)17-16(15(21)22)8-3-4-9-16/h5-7,10H,3-4,8-9H2,1-2H3,(H,17,19)(H,21,22)
InChIKeyLQWVOGCLDGNIOE-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.52
Rot. Bonds4

About 1-[[3-(dimethylcarbamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid

1-[[3-(dimethylcarbamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 119350549) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[[3-(dimethylcarbamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(dimethylcarbamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID119350549
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name1-[[3-(dimethylcarbamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(C)C(=O)c1cccc(C(=O)NC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C16H20N2O4/c1-18(2)14(20)12-7-5-6-11(10-12)13(19)17-16(15(21)22)8-3-4-9-16/h5-7,10H,3-4,8-9H2,1-2H3,(H,17,19)(H,21,22)
InChIKeyLQWVOGCLDGNIOE-UHFFFAOYSA-N
XLogP1.52
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[1-(hydroxymethyl)cyclopentyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 110008531
1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448
1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 43329574
1-[(3-ethoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120539178
1-[[3-(2-methoxyethoxy)benzoyl]amino]cycloheptane-1-carboxylic acid
CID 120538657
1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 71941988
1-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 97023036
1-[(3,4-dihydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 67604335
1-[[3-(furan-3-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120512717
1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 119630681
1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 106752503
1-[(3-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 17418883

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(dimethylcarbamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[3-(dimethylcarbamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid (CID 119350549) is 1-[[3-(dimethylcarbamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(dimethylcarbamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(dimethylcarbamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid is CN(C)C(=O)c1cccc(C(=O)NC2(C(=O)O)CCCC2)c1.
What is the InChIKey of 1-[[3-(dimethylcarbamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is LQWVOGCLDGNIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-18(2)14(20)12-7-5-6-11(10-12)13(19)17-16(15(21)22)8-3-4-9-16/h5-7,10H,3-4,8-9H2,1-2H3,(H,17,19)(H,21,22).
What are the key properties of 1-[[3-(dimethylcarbamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
1-[[3-(dimethylcarbamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(dimethylcarbamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 119350549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).