1-[3-(2-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid

C15H18ClNO4 — CID 43350973

IUPAC1-[3-(2-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCOc1ccccc1Cl)NC1(C(=O)O)CCCC1
InChIInChI=1S/C15H18ClNO4/c16-11-5-1-2-6-12(11)21-10-7-13(18)17-15(14(19)20)8-3-4-9-15/h1-2,5-6H,3-4,7-10H2,(H,17,18)(H,19,20)
InChIKeyIJJSOBJNWUWGBK-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.62
Rot. Bonds6

About 1-[3-(2-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid

1-[3-(2-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 43350973) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 1-[3-(2-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID43350973
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name1-[3-(2-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCOc1ccccc1Cl)NC1(C(=O)O)CCCC1
InChIInChI=1S/C15H18ClNO4/c16-11-5-1-2-6-12(11)21-10-7-13(18)17-15(14(19)20)8-3-4-9-15/h1-2,5-6H,3-4,7-10H2,(H,17,18)(H,19,20)
InChIKeyIJJSOBJNWUWGBK-UHFFFAOYSA-N
XLogP2.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119565936
1-[3-(2-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81158517
1-[3-(4-bromophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 43169472
1-(4-phenoxybutanoylamino)cyclobutane-1-carboxylic acid
CID 81164463
1-[3-(2,6-dimethylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81163982
1-[[2-(2-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120515100
1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81157933
3-(2-aminophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62523597
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849
3-[3-(2-chlorophenoxy)propanoylamino]-2-methylpropanoic acid
CID 62676014
N-(1-carbamothioylcyclopentyl)-3-phenoxypropanamide
CID 61120116
1-(4-phenylsulfanylbutanoylamino)cyclopentane-1-carboxylic acid
CID 43351141

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[3-(2-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid (CID 43350973) is 1-[3-(2-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(2-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[3-(2-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid is O=C(CCOc1ccccc1Cl)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[3-(2-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is IJJSOBJNWUWGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c16-11-5-1-2-6-12(11)21-10-7-13(18)17-15(14(19)20)8-3-4-9-15/h1-2,5-6H,3-4,7-10H2,(H,17,18)(H,19,20).
What are the key properties of 1-[3-(2-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
1-[3-(2-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 311.76 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43350973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).