3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C14H17ClN2O3 — CID 66252752

IUPAC3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1cccc(Cl)c1NC(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C14H17ClN2O3/c1-8-3-2-4-11(15)12(8)17-14(20)16-10-6-5-9(7-10)13(18)19/h2-4,9-10H,5-7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyJYYAAJLWGBRCEG-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.02
Rot. Bonds3

About 3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 66252752) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID66252752
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1cccc(Cl)c1NC(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C14H17ClN2O3/c1-8-3-2-4-11(15)12(8)17-14(20)16-10-6-5-9(7-10)13(18)19/h2-4,9-10H,5-7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyJYYAAJLWGBRCEG-UHFFFAOYSA-N
XLogP3.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106323996
3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66030426
2-[(2-chloro-6-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 66252015
1-(2-chloro-6-methylphenyl)-3-cyclopropylthiourea
CID 116509252
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid
CID 61187186
cis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324030
3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61184202
1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea
CID 108896615
1-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425691
1-(2-chloro-6-methylphenyl)-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 86795644
3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032729

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 66252752) is 3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is Cc1cccc(Cl)c1NC(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is JYYAAJLWGBRCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-8-3-2-4-11(15)12(8)17-14(20)16-10-6-5-9(7-10)13(18)19/h2-4,9-10H,5-7H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 296.75 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66252752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).