2-[(2,2-dimethylcyclopentanecarbonyl)amino]-3,5-dimethylbenzoic acid

C17H23NO3 — CID 107175446

IUPAC2-[(2,2-dimethylcyclopentanecarbonyl)amino]-3,5-dimethylbenzoic acid
SMILESCc1cc(C)c(NC(=O)C2CCCC2(C)C)c(C(=O)O)c1
InChIInChI=1S/C17H23NO3/c1-10-8-11(2)14(12(9-10)16(20)21)18-15(19)13-6-5-7-17(13,3)4/h8-9,13H,5-7H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyJWMYBPUVMNLDMU-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.77
Rot. Bonds3

About 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-3,5-dimethylbenzoic acid

2-[(2,2-dimethylcyclopentanecarbonyl)amino]-3,5-dimethylbenzoic acid (PubChem CID 107175446) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-3,5-dimethylbenzoic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclopentanecarbonyl)amino]-3,5-dimethylbenzoic acid
PubChem CID107175446
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-[(2,2-dimethylcyclopentanecarbonyl)amino]-3,5-dimethylbenzoic acid
SMILESCc1cc(C)c(NC(=O)C2CCCC2(C)C)c(C(=O)O)c1
InChIInChI=1S/C17H23NO3/c1-10-8-11(2)14(12(9-10)16(20)21)18-15(19)13-6-5-7-17(13,3)4/h8-9,13H,5-7H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyJWMYBPUVMNLDMU-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzoic acid
CID 66475891
N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174944
5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-dimethylbenzoic acid
CID 107175434
3,5-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid
CID 64687474
5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,4-difluorobenzoic acid
CID 107175258
3,5-dimethyl-2-(oxane-3-carbonylamino)benzoic acid
CID 63112148
2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid
CID 107175114
3-bromo-2-[(2,2-dimethylcyclohexanecarbonyl)amino]benzoic acid
CID 107175448
2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294
2-(1,4-dioxane-2-carbonylamino)-3,5-dimethylbenzoic acid
CID 63112038
N-(2-amino-4,6-dibromophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174811
N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920682

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-3,5-dimethylbenzoic acid?
The IUPAC name of 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-3,5-dimethylbenzoic acid (CID 107175446) is 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-3,5-dimethylbenzoic acid.
What is the SMILES notation for 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-3,5-dimethylbenzoic acid?
The canonical SMILES for 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-3,5-dimethylbenzoic acid is Cc1cc(C)c(NC(=O)C2CCCC2(C)C)c(C(=O)O)c1.
What is the InChIKey of 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-3,5-dimethylbenzoic acid?
The InChIKey is JWMYBPUVMNLDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-10-8-11(2)14(12(9-10)16(20)21)18-15(19)13-6-5-7-17(13,3)4/h8-9,13H,5-7H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-3,5-dimethylbenzoic acid?
2-[(2,2-dimethylcyclopentanecarbonyl)amino]-3,5-dimethylbenzoic acid has a molecular weight of 289.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-3,5-dimethylbenzoic acid is sourced from PubChem (CID 107175446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).