1-[(2,4,6-trimethylbenzoyl)amino]cyclopentane-1-carboxylic acid

C16H21NO3 — CID 43341207

IUPAC1-[(2,4,6-trimethylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C)c(C(=O)NC2(C(=O)O)CCCC2)c(C)c1
InChIInChI=1S/C16H21NO3/c1-10-8-11(2)13(12(3)9-10)14(18)17-16(15(19)20)6-4-5-7-16/h8-9H,4-7H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyAIIPYWZXHCTBSA-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.74
Rot. Bonds3

About 1-[(2,4,6-trimethylbenzoyl)amino]cyclopentane-1-carboxylic acid

1-[(2,4,6-trimethylbenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43341207) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[(2,4,6-trimethylbenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4,6-trimethylbenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43341207
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-[(2,4,6-trimethylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C)c(C(=O)NC2(C(=O)O)CCCC2)c(C)c1
InChIInChI=1S/C16H21NO3/c1-10-8-11(2)13(12(3)9-10)14(18)17-16(15(19)20)6-4-5-7-16/h8-9H,4-7H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyAIIPYWZXHCTBSA-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide
CID 61119533
1-[(3,5-dimethylbenzoyl)amino]cyclopropane-1-carboxylic acid
CID 65451768
N-[1-(bromomethyl)cyclohexyl]-2,4,6-trimethylbenzamide
CID 114314026
1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683
1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43162964
1-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 62003071
1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28779309
1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341633
1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158397
1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 106752503
1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 62338755
1-[(2-methyl-5-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 75460812

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4,6-trimethylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2,4,6-trimethylbenzoyl)amino]cyclopentane-1-carboxylic acid (CID 43341207) is 1-[(2,4,6-trimethylbenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,4,6-trimethylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2,4,6-trimethylbenzoyl)amino]cyclopentane-1-carboxylic acid is Cc1cc(C)c(C(=O)NC2(C(=O)O)CCCC2)c(C)c1.
What is the InChIKey of 1-[(2,4,6-trimethylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is AIIPYWZXHCTBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-10-8-11(2)13(12(3)9-10)14(18)17-16(15(19)20)6-4-5-7-16/h8-9H,4-7H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 1-[(2,4,6-trimethylbenzoyl)amino]cyclopentane-1-carboxylic acid?
1-[(2,4,6-trimethylbenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4,6-trimethylbenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43341207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).