4-[[2-(4-fluorophenoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid

C14H14FNO4 — CID 79209208

IUPAC4-[[2-(4-fluorophenoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(COc1ccc(F)cc1)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C14H14FNO4/c15-10-2-5-12(6-3-10)20-8-13(17)16-11-4-1-9(7-11)14(18)19/h1-6,9,11H,7-8H2,(H,16,17)(H,18,19)
InChIKeyKYTRXFXKFQLXCE-UHFFFAOYSA-N
MW279.27 g/mol
LogP1.35
Rot. Bonds5

About 4-[[2-(4-fluorophenoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid

4-[[2-(4-fluorophenoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79209208) has the molecular formula C14H14FNO4 and a molecular weight of 279.27 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(4-fluorophenoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79209208
Molecular FormulaC14H14FNO4
Molecular Weight279.27 g/mol
Exact Mass279.09
IUPAC Name4-[[2-(4-fluorophenoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(COc1ccc(F)cc1)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C14H14FNO4/c15-10-2-5-12(6-3-10)20-8-13(17)16-11-4-1-9(7-11)14(18)19/h1-6,9,11H,7-8H2,(H,16,17)(H,18,19)
InChIKeyKYTRXFXKFQLXCE-UHFFFAOYSA-N
XLogP1.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 97039908
2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91791644
N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide
CID 110823029
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(4-fluorophenoxy)acetamide
CID 73371195
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791687
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 6601805
N-(1-acetylpiperidin-4-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 55553899
N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide
CID 27836051
N-cyano-2-(4-fluorophenoxy)acetamide
CID 79194261
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438
2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106122071
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenoxy)acetamide
CID 51247442

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[[2-(4-fluorophenoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid (CID 79209208) is 4-[[2-(4-fluorophenoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(4-fluorophenoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[[2-(4-fluorophenoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid is O=C(COc1ccc(F)cc1)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[[2-(4-fluorophenoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is KYTRXFXKFQLXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4/c15-10-2-5-12(6-3-10)20-8-13(17)16-11-4-1-9(7-11)14(18)19/h1-6,9,11H,7-8H2,(H,16,17)(H,18,19).
What are the key properties of 4-[[2-(4-fluorophenoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid?
4-[[2-(4-fluorophenoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 279.27 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79209208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).