2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid

C16H21NO3 — CID 82759945

IUPAC2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2CCCC2(C)C(=O)O)c(C)c1
InChIInChI=1S/C16H21NO3/c1-10-6-7-12(11(2)9-10)14(18)17-13-5-4-8-16(13,3)15(19)20/h6-7,9,13H,4-5,8H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyBUZQXPQDTKTGEU-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.68
Rot. Bonds3

About 2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid

2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82759945) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82759945
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2CCCC2(C)C(=O)O)c(C)c1
InChIInChI=1S/C16H21NO3/c1-10-6-7-12(11(2)9-10)14(18)17-13-5-4-8-16(13,3)15(19)20/h6-7,9,13H,4-5,8H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyBUZQXPQDTKTGEU-UHFFFAOYSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-hydroxy-4-methylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760031
2-[(2-chloro-4-methylbenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 106860690
2-[(2-bromo-5-methylbenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211629
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760107
2-[(2-chloro-4-fluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760189
2-[(2-hydroxy-4-methoxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765367
2-[(2-fluoro-4-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764317
2-[(4-iodobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759798
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759937
1-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82760450
2-[(2-chloro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 107627661
2-[(4-chloro-2,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82772593

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid (CID 82759945) is 2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid is Cc1ccc(C(=O)NC2CCCC2(C)C(=O)O)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is BUZQXPQDTKTGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-10-6-7-12(11(2)9-10)14(18)17-13-5-4-8-16(13,3)15(19)20/h6-7,9,13H,4-5,8H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82759945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).