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

C15H18ClNO4 — CID 66032691

IUPAC3-[2-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCC(Oc1cccc(Cl)c1)C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C15H18ClNO4/c1-9(21-13-4-2-3-11(16)8-13)14(18)17-12-6-5-10(7-12)15(19)20/h2-4,8-10,12H,5-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyNYBRBZXHELNMDM-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.48
Rot. Bonds5

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

3-[2-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 66032691) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 3-[2-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID66032691
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name3-[2-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCC(Oc1cccc(Cl)c1)C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C15H18ClNO4/c1-9(21-13-4-2-3-11(16)8-13)14(18)17-12-6-5-10(7-12)15(19)20/h2-4,8-10,12H,5-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyNYBRBZXHELNMDM-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

(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
cis-(1S,3R)-3-[2-(3-propan-2-ylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120674983
cis-(1R,3S)-3-[2-(3-acetylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678358
cis-(1S,3R)-3-[2-(3-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120676520
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-chlorophenoxy)propanamide
CID 62229825
cis-(1S,3R)-3-[2-(3-chlorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675394
(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 42561318
(2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 42562531
(2R)-2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 27015562
4-[2-(3,4-difluorophenoxy)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229245
cis-(1R,3S)-3-[2-(2-fluorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 106320893
2-(3-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 66006623

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[2-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid (CID 66032691) is 3-[2-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[2-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[2-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid is CC(Oc1cccc(Cl)c1)C(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[2-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is NYBRBZXHELNMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-9(21-13-4-2-3-11(16)8-13)14(18)17-12-6-5-10(7-12)15(19)20/h2-4,8-10,12H,5-7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[2-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
3-[2-(3-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 3-[2-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).