2-[(2-chloro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid

C15H19ClN2O3 — CID 107627661

IUPAC2-[(2-chloro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCc1ccc(Cl)c(NC(=O)NC2CCCC2(C)C(=O)O)c1
InChIInChI=1S/C15H19ClN2O3/c1-9-5-6-10(16)11(8-9)17-14(21)18-12-4-3-7-15(12,2)13(19)20/h5-6,8,12H,3-4,7H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyDKSRRUFJBMARTF-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.41
Rot. Bonds3

About 2-[(2-chloro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid

2-[(2-chloro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 107627661) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-[(2-chloro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-chloro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID107627661
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-[(2-chloro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCc1ccc(Cl)c(NC(=O)NC2CCCC2(C)C(=O)O)c1
InChIInChI=1S/C15H19ClN2O3/c1-9-5-6-10(16)11(8-9)17-14(21)18-12-4-3-7-15(12,2)13(19)20/h5-6,8,12H,3-4,7H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyDKSRRUFJBMARTF-UHFFFAOYSA-N
XLogP3.41
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-fluoro-4-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764317
2-[(3-bromo-4-chlorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82765860
2-[(2-chloro-4-methylbenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 106860690
2-[(3-fluoro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764542
1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82762976
2-[(3-chloro-5-fluorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 107368667
2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759945
1-[(2-chloro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 107627959
2-[(2-hydroxy-4-methylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760031
2-[(3-bromophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82762508
2-[(2-bromo-5-methylbenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211629
2-[(2-chloro-4-fluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760189

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-chloro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid (CID 107627661) is 2-[(2-chloro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-chloro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-chloro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid is Cc1ccc(Cl)c(NC(=O)NC2CCCC2(C)C(=O)O)c1.
What is the InChIKey of 2-[(2-chloro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is DKSRRUFJBMARTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-9-5-6-10(16)11(8-9)17-14(21)18-12-4-3-7-15(12,2)13(19)20/h5-6,8,12H,3-4,7H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(2-chloro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
2-[(2-chloro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 310.78 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 107627661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).