3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid

C14H15Cl2NO4 — CID 66030116

IUPAC3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(COc1ccc(Cl)cc1Cl)NC1CCC(C(=O)O)C1
InChIInChI=1S/C14H15Cl2NO4/c15-9-2-4-12(11(16)6-9)21-7-13(18)17-10-3-1-8(5-10)14(19)20/h2,4,6,8,10H,1,3,5,7H2,(H,17,18)(H,19,20)
InChIKeyFNCFCRAOVNMWRK-UHFFFAOYSA-N
MW332.18 g/mol
LogP2.74
Rot. Bonds5

About 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid

3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 66030116) has the molecular formula C14H15Cl2NO4 and a molecular weight of 332.18 g/mol. Its IUPAC name is 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID66030116
Molecular FormulaC14H15Cl2NO4
Molecular Weight332.18 g/mol
Exact Mass331.04
IUPAC Name3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(COc1ccc(Cl)cc1Cl)NC1CCC(C(=O)O)C1
InChIInChI=1S/C14H15Cl2NO4/c15-9-2-4-12(11(16)6-9)21-7-13(18)17-10-3-1-8(5-10)14(19)20/h2,4,6,8,10H,1,3,5,7H2,(H,17,18)(H,19,20)
InChIKeyFNCFCRAOVNMWRK-UHFFFAOYSA-N
XLogP2.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1S,3R)-3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675929
3-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66032110
cis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675579
3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030131
(2S,4S)-4-[[2-(2,4-dichlorophenoxy)acetyl]amino]pyrrolidine-2-carboxylic acid
CID 72882465
N-cyclopentyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
CID 112990888
2-(2,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385688
cis-(1S,3R)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677149
2-(2,4-dichlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 2853637
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2,4-dichlorophenoxy)acetamide
CID 1338660
2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide
CID 108553385
[2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 3987255

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid (CID 66030116) is 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(COc1ccc(Cl)cc1Cl)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is FNCFCRAOVNMWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO4/c15-9-2-4-12(11(16)6-9)21-7-13(18)17-10-3-1-8(5-10)14(19)20/h2,4,6,8,10H,1,3,5,7H2,(H,17,18)(H,19,20).
What are the key properties of 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 332.18 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).