4-[3-(2-fluorophenoxy)propanoylamino]oxolane-3-carboxylic acid

C14H16FNO5 — CID 66220969

IUPAC4-[3-(2-fluorophenoxy)propanoylamino]oxolane-3-carboxylic acid
SMILESO=C(CCOc1ccccc1F)NC1COCC1C(=O)O
InChIInChI=1S/C14H16FNO5/c15-10-3-1-2-4-12(10)21-6-5-13(17)16-11-8-20-7-9(11)14(18)19/h1-4,9,11H,5-8H2,(H,16,17)(H,18,19)
InChIKeyORYVQCSTSIJWEL-UHFFFAOYSA-N
MW297.28 g/mol
LogP0.81
Rot. Bonds6

About 4-[3-(2-fluorophenoxy)propanoylamino]oxolane-3-carboxylic acid

4-[3-(2-fluorophenoxy)propanoylamino]oxolane-3-carboxylic acid (PubChem CID 66220969) has the molecular formula C14H16FNO5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-[3-(2-fluorophenoxy)propanoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2-fluorophenoxy)propanoylamino]oxolane-3-carboxylic acid
PubChem CID66220969
Molecular FormulaC14H16FNO5
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name4-[3-(2-fluorophenoxy)propanoylamino]oxolane-3-carboxylic acid
SMILESO=C(CCOc1ccccc1F)NC1COCC1C(=O)O
InChIInChI=1S/C14H16FNO5/c15-10-3-1-2-4-12(10)21-6-5-13(17)16-11-8-20-7-9(11)14(18)19/h1-4,9,11H,5-8H2,(H,16,17)(H,18,19)
InChIKeyORYVQCSTSIJWEL-UHFFFAOYSA-N
XLogP0.81
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid
CID 66221172
4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66222666
4-[3-(2-chlorophenyl)propanoylamino]oxolane-3-carboxylic acid
CID 66222677
4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238951
4-[[2-(2,6-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 66221815
3-(2-fluorophenoxy)-N-methoxypropanamide
CID 60717911
4-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methyloxolane-3-carboxamide
CID 66240651
3-(2-fluorophenoxy)-N-[1-(hydroxymethyl)cyclobutyl]propanamide
CID 115878515
4-(4-thiophen-2-ylbutanoylamino)oxolane-3-carboxylic acid
CID 66221199
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959
3-(2-fluorophenoxy)-N-(4-fluorophenyl)propanamide
CID 47097682
(2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid
CID 54990985

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluorophenoxy)propanoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[3-(2-fluorophenoxy)propanoylamino]oxolane-3-carboxylic acid (CID 66220969) is 4-[3-(2-fluorophenoxy)propanoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[3-(2-fluorophenoxy)propanoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[3-(2-fluorophenoxy)propanoylamino]oxolane-3-carboxylic acid is O=C(CCOc1ccccc1F)NC1COCC1C(=O)O.
What is the InChIKey of 4-[3-(2-fluorophenoxy)propanoylamino]oxolane-3-carboxylic acid?
The InChIKey is ORYVQCSTSIJWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO5/c15-10-3-1-2-4-12(10)21-6-5-13(17)16-11-8-20-7-9(11)14(18)19/h1-4,9,11H,5-8H2,(H,16,17)(H,18,19).
What are the key properties of 4-[3-(2-fluorophenoxy)propanoylamino]oxolane-3-carboxylic acid?
4-[3-(2-fluorophenoxy)propanoylamino]oxolane-3-carboxylic acid has a molecular weight of 297.28 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluorophenoxy)propanoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66220969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).