3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]benzoic acid

C16H22N2O3 — CID 64914030

IUPAC3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]benzoic acid
SMILESCCC1CCC(NC(=O)Nc2cccc(C(=O)O)c2)C1C
InChIInChI=1S/C16H22N2O3/c1-3-11-7-8-14(10(11)2)18-16(21)17-13-6-4-5-12(9-13)15(19)20/h4-6,9-11,14H,3,7-8H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyRTFFVTDZZCBIKW-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.33
Rot. Bonds4

About 3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]benzoic acid

3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]benzoic acid (PubChem CID 64914030) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]benzoic acid
PubChem CID64914030
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]benzoic acid
SMILESCCC1CCC(NC(=O)Nc2cccc(C(=O)O)c2)C1C
InChIInChI=1S/C16H22N2O3/c1-3-11-7-8-14(10(11)2)18-16(21)17-13-6-4-5-12(9-13)15(19)20/h4-6,9-11,14H,3,7-8H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyRTFFVTDZZCBIKW-UHFFFAOYSA-N
XLogP3.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-ethyl-2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 64921123
3-[(3-ethylcyclohexyl)carbamoylamino]benzoic acid
CID 64741972
N-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104615105
N-(3-ethyl-2-methylcyclopentyl)-4-hydroxy-3-methylbenzamide
CID 107676725
1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea
CID 4064098
3-[(2-methylcyclohexyl)carbamoylamino]-N-propylbenzamide
CID 47034013
1-[3-(aminomethyl)phenyl]-3-(2-ethylcyclohexyl)urea
CID 61468180
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
3-amino-N-(3-ethyl-2-methylcyclopentyl)-4-methylbenzamide
CID 64923475
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64915825
cis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320365
N-(3-ethyl-2-methylcyclopentyl)-3-hydroxy-2-methylbenzamide
CID 82829272

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]benzoic acid?
The IUPAC name of 3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]benzoic acid (CID 64914030) is 3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]benzoic acid?
The canonical SMILES for 3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]benzoic acid is CCC1CCC(NC(=O)Nc2cccc(C(=O)O)c2)C1C.
What is the InChIKey of 3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]benzoic acid?
The InChIKey is RTFFVTDZZCBIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-11-7-8-14(10(11)2)18-16(21)17-13-6-4-5-12(9-13)15(19)20/h4-6,9-11,14H,3,7-8H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]benzoic acid?
3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]benzoic acid has a molecular weight of 290.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 64914030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).