3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C14H17ClN2O3 — CID 66030426

IUPAC3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(NC(=O)NC2CCC(C(=O)O)C2)c(Cl)c1
InChIInChI=1S/C14H17ClN2O3/c1-8-2-5-12(11(15)6-8)17-14(20)16-10-4-3-9(7-10)13(18)19/h2,5-6,9-10H,3-4,7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyIWWNMILPRHHWHZ-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.02
Rot. Bonds3

About 3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 66030426) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID66030426
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(NC(=O)NC2CCC(C(=O)O)C2)c(Cl)c1
InChIInChI=1S/C14H17ClN2O3/c1-8-2-5-12(11(15)6-8)17-14(20)16-10-4-3-9(7-10)13(18)19/h2,5-6,9-10H,3-4,7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyIWWNMILPRHHWHZ-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-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324030
3-[(2-bromo-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031810
1-(2-chloro-4-methylphenyl)-3-cyclobutylurea
CID 115617867
cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324088
3-[(2-bromo-4-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 81281055
cis-(1R,3S)-3-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319865
cis-(1R,3S)-3-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319305
3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66252752
4-[(2-chloro-4-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240939
3-[(2-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63042823
3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 81289601
4-[(2-ethoxy-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076839

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 66030426) is 3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is Cc1ccc(NC(=O)NC2CCC(C(=O)O)C2)c(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is IWWNMILPRHHWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-8-2-5-12(11(15)6-8)17-14(20)16-10-4-3-9(7-10)13(18)19/h2,5-6,9-10H,3-4,7H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
3-[(2-chloro-4-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-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).