2-[2-(4-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid

C15H18ClNO4 — CID 64812015

IUPAC2-[2-(4-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C15H18ClNO4/c1-9(21-11-7-5-10(16)6-8-11)14(18)17-13-4-2-3-12(13)15(19)20/h5-9,12-13H,2-4H2,1H3,(H,17,18)(H,19,20)
InChIKeySTWOAXJFBWTRHV-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.48
Rot. Bonds5

About 2-[2-(4-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid

2-[2-(4-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64812015) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID64812015
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name2-[2-(4-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C15H18ClNO4/c1-9(21-11-7-5-10(16)6-8-11)14(18)17-13-4-2-3-12(13)15(19)20/h5-9,12-13H,2-4H2,1H3,(H,17,18)(H,19,20)
InChIKeySTWOAXJFBWTRHV-UHFFFAOYSA-N
XLogP2.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-cyclobutyloxypropanamide
CID 155413533
2-(4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide
CID 42901999
2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 133164152
(2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7816268
2-(4-fluorophenoxy)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 43046803
(2S)-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-propanoylphenoxy)propanamide
CID 11929131
(2R)-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-propanoylphenoxy)propanamide
CID 11929132
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 24504184
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8865726
(2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide
CID 7751160
2-(4-chlorophenoxy)-N-[(4-methylcyclohexylidene)amino]propanamide
CID 4196461
N-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride
CID 119601484

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-(4-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid (CID 64812015) is 2-[2-(4-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-(4-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid is CC(Oc1ccc(Cl)cc1)C(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[2-(4-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is STWOAXJFBWTRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-9(21-11-7-5-10(16)6-8-11)14(18)17-13-4-2-3-12(13)15(19)20/h5-9,12-13H,2-4H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(4-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
2-[2-(4-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 311.76 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64812015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).