2-[(2,3-dimethylcyclopentyl)carbamoyl]-3,6-dimethylbenzoic acid

C17H23NO3 — CID 103429123

IUPAC2-[(2,3-dimethylcyclopentyl)carbamoyl]-3,6-dimethylbenzoic acid
SMILESCc1ccc(C)c(C(=O)NC2CCC(C)C2C)c1C(=O)O
InChIInChI=1S/C17H23NO3/c1-9-7-8-13(12(9)4)18-16(19)14-10(2)5-6-11(3)15(14)17(20)21/h5-6,9,12-13H,7-8H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyWEIIUHBRTLYLGY-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.17
Rot. Bonds3

About 2-[(2,3-dimethylcyclopentyl)carbamoyl]-3,6-dimethylbenzoic acid

2-[(2,3-dimethylcyclopentyl)carbamoyl]-3,6-dimethylbenzoic acid (PubChem CID 103429123) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[(2,3-dimethylcyclopentyl)carbamoyl]-3,6-dimethylbenzoic acid.

Molecular Properties

Compound Name2-[(2,3-dimethylcyclopentyl)carbamoyl]-3,6-dimethylbenzoic acid
PubChem CID103429123
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-[(2,3-dimethylcyclopentyl)carbamoyl]-3,6-dimethylbenzoic acid
SMILESCc1ccc(C)c(C(=O)NC2CCC(C)C2C)c1C(=O)O
InChIInChI=1S/C17H23NO3/c1-9-7-8-13(12(9)4)18-16(19)14-10(2)5-6-11(3)15(14)17(20)21/h5-6,9,12-13H,7-8H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyWEIIUHBRTLYLGY-UHFFFAOYSA-N
XLogP3.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,3-dimethylcyclopentyl)-6-methylbenzamide
CID 64909917
3,6-dimethyl-2-[(1-methylpyrrolidin-3-yl)carbamoyl]benzoic acid
CID 103428990
5-[(2,3-dimethylcyclopentyl)carbamoyl]furan-3-carboxylic acid
CID 104607667
3,6-dimethyl-2-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 103429074
3-amino-N-(2,3-dimethylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 64923247
N-(2,3-dimethylcyclopentyl)-2-fluorobenzamide
CID 64907181
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide
CID 124811505
N-(2,3-dimethylcyclopentyl)acetamide
CID 64922482
2-amino-N-(3-ethyl-2-methylcyclopentyl)-6-methylbenzamide
CID 64923476
2-[(2,3-dimethylcyclopentyl)amino]-6-fluorobenzoic acid
CID 79511448
N-(2,3-dimethylcyclopentyl)-2-(ethylamino)-5-methylbenzamide
CID 64922871
4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide
CID 64920634

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylcyclopentyl)carbamoyl]-3,6-dimethylbenzoic acid?
The IUPAC name of 2-[(2,3-dimethylcyclopentyl)carbamoyl]-3,6-dimethylbenzoic acid (CID 103429123) is 2-[(2,3-dimethylcyclopentyl)carbamoyl]-3,6-dimethylbenzoic acid.
What is the SMILES notation for 2-[(2,3-dimethylcyclopentyl)carbamoyl]-3,6-dimethylbenzoic acid?
The canonical SMILES for 2-[(2,3-dimethylcyclopentyl)carbamoyl]-3,6-dimethylbenzoic acid is Cc1ccc(C)c(C(=O)NC2CCC(C)C2C)c1C(=O)O.
What is the InChIKey of 2-[(2,3-dimethylcyclopentyl)carbamoyl]-3,6-dimethylbenzoic acid?
The InChIKey is WEIIUHBRTLYLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-9-7-8-13(12(9)4)18-16(19)14-10(2)5-6-11(3)15(14)17(20)21/h5-6,9,12-13H,7-8H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(2,3-dimethylcyclopentyl)carbamoyl]-3,6-dimethylbenzoic acid?
2-[(2,3-dimethylcyclopentyl)carbamoyl]-3,6-dimethylbenzoic acid has a molecular weight of 289.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylcyclopentyl)carbamoyl]-3,6-dimethylbenzoic acid is sourced from PubChem (CID 103429123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).