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

C13H14ClNO5 — CID 64889569

IUPAC3-[[2-(3-chlorophenoxy)acetyl]amino]oxolane-3-carboxylic acid
SMILESO=C(COc1cccc(Cl)c1)NC1(C(=O)O)CCOC1
InChIInChI=1S/C13H14ClNO5/c14-9-2-1-3-10(6-9)20-7-11(16)15-13(12(17)18)4-5-19-8-13/h1-3,6H,4-5,7-8H2,(H,15,16)(H,17,18)
InChIKeyRLUIEFIJGFGCEH-UHFFFAOYSA-N
MW299.71 g/mol
LogP1.08
Rot. Bonds5

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

3-[[2-(3-chlorophenoxy)acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 64889569) has the molecular formula C13H14ClNO5 and a molecular weight of 299.71 g/mol. Its IUPAC name is 3-[[2-(3-chlorophenoxy)acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(3-chlorophenoxy)acetyl]amino]oxolane-3-carboxylic acid
PubChem CID64889569
Molecular FormulaC13H14ClNO5
Molecular Weight299.71 g/mol
Exact Mass299.06
IUPAC Name3-[[2-(3-chlorophenoxy)acetyl]amino]oxolane-3-carboxylic acid
SMILESO=C(COc1cccc(Cl)c1)NC1(C(=O)O)CCOC1
InChIInChI=1S/C13H14ClNO5/c14-9-2-1-3-10(6-9)20-7-11(16)15-13(12(17)18)4-5-19-8-13/h1-3,6H,4-5,7-8H2,(H,15,16)(H,17,18)
InChIKeyRLUIEFIJGFGCEH-UHFFFAOYSA-N
XLogP1.08
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-fluorophenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 64889222
N-[4-(chloromethyl)oxan-4-yl]-2-(3-chlorophenoxy)acetamide
CID 106300559
3-[[2-(2-fluorophenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 64889416
3-[[2-(2-cyanophenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 64890384
3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 64888035
3-[[2-(3-aminophenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 65350121
3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid
CID 64890600
2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362360
2-(3-chlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7818825
3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 120688786
1-[[2-(3-nitrophenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65452394
1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65450765

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chlorophenoxy)acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[2-(3-chlorophenoxy)acetyl]amino]oxolane-3-carboxylic acid (CID 64889569) is 3-[[2-(3-chlorophenoxy)acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[2-(3-chlorophenoxy)acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[2-(3-chlorophenoxy)acetyl]amino]oxolane-3-carboxylic acid is O=C(COc1cccc(Cl)c1)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[2-(3-chlorophenoxy)acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is RLUIEFIJGFGCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO5/c14-9-2-1-3-10(6-9)20-7-11(16)15-13(12(17)18)4-5-19-8-13/h1-3,6H,4-5,7-8H2,(H,15,16)(H,17,18).
What are the key properties of 3-[[2-(3-chlorophenoxy)acetyl]amino]oxolane-3-carboxylic acid?
3-[[2-(3-chlorophenoxy)acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 299.71 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chlorophenoxy)acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64889569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).