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

C17H23NO3 — CID 107175434

IUPAC5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-dimethylbenzoic acid
SMILESCc1cc(NC(=O)C2CCCC2(C)C)cc(C(=O)O)c1C
InChIInChI=1S/C17H23NO3/c1-10-8-12(9-13(11(10)2)16(20)21)18-15(19)14-6-5-7-17(14,3)4/h8-9,14H,5-7H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyRNJHKCKSFXWDGG-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.77
Rot. Bonds3

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

5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-dimethylbenzoic acid (PubChem CID 107175434) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-dimethylbenzoic acid.

Molecular Properties

Compound Name5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-dimethylbenzoic acid
PubChem CID107175434
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-dimethylbenzoic acid
SMILESCc1cc(NC(=O)C2CCCC2(C)C)cc(C(=O)O)c1C
InChIInChI=1S/C17H23NO3/c1-10-8-12(9-13(11(10)2)16(20)21)18-15(19)14-6-5-7-17(14,3)4/h8-9,14H,5-7H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyRNJHKCKSFXWDGG-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

2-[(2,2-dimethylcyclopentanecarbonyl)amino]-3,5-dimethylbenzoic acid
CID 107175446
2,3-dimethyl-5-(thiane-2-carbonylamino)benzoic acid
CID 80594176
2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294
N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920538
5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,4-difluorobenzoic acid
CID 107175258
2,3-dimethyl-5-(pyrrolidine-3-carbonylamino)benzoic acid
CID 55142915
N-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107179808
2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid
CID 107175114
5-acetamido-2,3-dimethylbenzoic acid
CID 63020849
2,3-dimethyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
CID 63020187
5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2,3-dimethylbenzoic acid
CID 115448528
N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174944

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-dimethylbenzoic acid?
The IUPAC name of 5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-dimethylbenzoic acid (CID 107175434) is 5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-dimethylbenzoic acid.
What is the SMILES notation for 5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-dimethylbenzoic acid?
The canonical SMILES for 5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-dimethylbenzoic acid is Cc1cc(NC(=O)C2CCCC2(C)C)cc(C(=O)O)c1C.
What is the InChIKey of 5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-dimethylbenzoic acid?
The InChIKey is RNJHKCKSFXWDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-10-8-12(9-13(11(10)2)16(20)21)18-15(19)14-6-5-7-17(14,3)4/h8-9,14H,5-7H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-dimethylbenzoic acid?
5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-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 5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-dimethylbenzoic acid is sourced from PubChem (CID 107175434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).