3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid

C15H19NO3 — CID 79872488

IUPAC3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid
SMILESCC1(C)CCCC1NC(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C15H19NO3/c1-15(2)8-4-7-12(15)16-13(17)10-5-3-6-11(9-10)14(18)19/h3,5-6,9,12H,4,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyMBRJVYHGZAOJGO-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.69
Rot. Bonds3

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

3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid (PubChem CID 79872488) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid
PubChem CID79872488
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid
SMILESCC1(C)CCCC1NC(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C15H19NO3/c1-15(2)8-4-7-12(15)16-13(17)10-5-3-6-11(9-10)14(18)19/h3,5-6,9,12H,4,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyMBRJVYHGZAOJGO-UHFFFAOYSA-N
XLogP2.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,2-dimethylcyclohexyl)carbamoyl]benzoic acid
CID 79872227
3-(2-aminoethyl)-N-(2,2-dimethylcyclopentyl)benzamide
CID 79856078
N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
CID 79878341
3-chloro-N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
CID 79840670
N-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide
CID 79833930
3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide
CID 79855162
3-[4-[(2,2-dimethylcyclopentyl)carbamoyl]phenyl]prop-2-enoic acid
CID 79870096
1-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea
CID 79832263
5-[(2,2-dimethylcyclopentyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120692079
3,5-diamino-N-(2,2-dimethylcyclohexyl)benzamide
CID 79855552
3-chloro-4-[(2,2-dimethylcyclopentyl)amino]benzoic acid
CID 79872961
N-(2,2-dimethylcyclopentyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 79873342

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid?
The IUPAC name of 3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid (CID 79872488) is 3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid.
What is the SMILES notation for 3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid?
The canonical SMILES for 3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid is CC1(C)CCCC1NC(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid?
The InChIKey is MBRJVYHGZAOJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(2)8-4-7-12(15)16-13(17)10-5-3-6-11(9-10)14(18)19/h3,5-6,9,12H,4,7-8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid?
3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid is sourced from PubChem (CID 79872488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).