3-[[2-(2-cyanophenoxy)acetyl]amino]oxolane-3-carboxylic acid

C14H14N2O5 — CID 64890384

IUPAC3-[[2-(2-cyanophenoxy)acetyl]amino]oxolane-3-carboxylic acid
SMILESN#Cc1ccccc1OCC(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C14H14N2O5/c15-7-10-3-1-2-4-11(10)21-8-12(17)16-14(13(18)19)5-6-20-9-14/h1-4H,5-6,8-9H2,(H,16,17)(H,18,19)
InChIKeyFVNTVVJVAWLQNA-UHFFFAOYSA-N
MW290.27 g/mol
LogP0.30
Rot. Bonds5

About 3-[[2-(2-cyanophenoxy)acetyl]amino]oxolane-3-carboxylic acid

3-[[2-(2-cyanophenoxy)acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 64890384) has the molecular formula C14H14N2O5 and a molecular weight of 290.27 g/mol. Its IUPAC name is 3-[[2-(2-cyanophenoxy)acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2-cyanophenoxy)acetyl]amino]oxolane-3-carboxylic acid
PubChem CID64890384
Molecular FormulaC14H14N2O5
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name3-[[2-(2-cyanophenoxy)acetyl]amino]oxolane-3-carboxylic acid
SMILESN#Cc1ccccc1OCC(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C14H14N2O5/c15-7-10-3-1-2-4-11(10)21-8-12(17)16-14(13(18)19)5-6-20-9-14/h1-4H,5-6,8-9H2,(H,16,17)(H,18,19)
InChIKeyFVNTVVJVAWLQNA-UHFFFAOYSA-N
XLogP0.30
TPSA108.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(2-cyanophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43351152
3-[[2-(2-fluorophenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 64889416
3-[[2-(3-chlorophenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 64889569
1-[[2-(2-hydroxyphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65452796
2-(2-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115360382
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-cyanophenoxy)acetamide
CID 39820178
2-(2-cyanophenoxy)-N-[(1-methylcyclobutyl)methyl]acetamide
CID 103737425
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318201
1-[[2-(2-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120515100
2-(2-fluorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954074
2-(2-cyanophenoxy)-N-(2-phenylphenyl)acetamide
CID 7696058
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-cyanophenoxy)acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[2-(2-cyanophenoxy)acetyl]amino]oxolane-3-carboxylic acid (CID 64890384) is 3-[[2-(2-cyanophenoxy)acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[2-(2-cyanophenoxy)acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[2-(2-cyanophenoxy)acetyl]amino]oxolane-3-carboxylic acid is N#Cc1ccccc1OCC(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[2-(2-cyanophenoxy)acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is FVNTVVJVAWLQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c15-7-10-3-1-2-4-11(10)21-8-12(17)16-14(13(18)19)5-6-20-9-14/h1-4H,5-6,8-9H2,(H,16,17)(H,18,19).
What are the key properties of 3-[[2-(2-cyanophenoxy)acetyl]amino]oxolane-3-carboxylic acid?
3-[[2-(2-cyanophenoxy)acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 290.27 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-cyanophenoxy)acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64890384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).