(2-oxooxolan-3-yl) 2-[(2-chlorobenzoyl)amino]acetate

C13H12ClNO5 — CID 3908649

IUPAC(2-oxooxolan-3-yl) 2-[(2-chlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1Cl)OC1CCOC1=O
InChIInChI=1S/C13H12ClNO5/c14-9-4-2-1-3-8(9)12(17)15-7-11(16)20-10-5-6-19-13(10)18/h1-4,10H,5-7H2,(H,15,17)
InChIKeyCMOFHVSCYSGWCD-UHFFFAOYSA-N
MW297.69 g/mol
LogP0.93
Rot. Bonds4

About (2-oxooxolan-3-yl) 2-[(2-chlorobenzoyl)amino]acetate

(2-oxooxolan-3-yl) 2-[(2-chlorobenzoyl)amino]acetate (PubChem CID 3908649) has the molecular formula C13H12ClNO5 and a molecular weight of 297.69 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-[(2-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-[(2-chlorobenzoyl)amino]acetate
PubChem CID3908649
Molecular FormulaC13H12ClNO5
Molecular Weight297.69 g/mol
Exact Mass297.04
IUPAC Name(2-oxooxolan-3-yl) 2-[(2-chlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1Cl)OC1CCOC1=O
InChIInChI=1S/C13H12ClNO5/c14-9-4-2-1-3-8(9)12(17)15-7-11(16)20-10-5-6-19-13(10)18/h1-4,10H,5-7H2,(H,15,17)
InChIKeyCMOFHVSCYSGWCD-UHFFFAOYSA-N
XLogP0.93
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2-[(2-chlorobenzoyl)amino]acetate?
The IUPAC name of (2-oxooxolan-3-yl) 2-[(2-chlorobenzoyl)amino]acetate (CID 3908649) is (2-oxooxolan-3-yl) 2-[(2-chlorobenzoyl)amino]acetate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-[(2-chlorobenzoyl)amino]acetate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-[(2-chlorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccccc1Cl)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) 2-[(2-chlorobenzoyl)amino]acetate?
The InChIKey is CMOFHVSCYSGWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO5/c14-9-4-2-1-3-8(9)12(17)15-7-11(16)20-10-5-6-19-13(10)18/h1-4,10H,5-7H2,(H,15,17).
What are the key properties of (2-oxooxolan-3-yl) 2-[(2-chlorobenzoyl)amino]acetate?
(2-oxooxolan-3-yl) 2-[(2-chlorobenzoyl)amino]acetate has a molecular weight of 297.69 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2-[(2-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 3908649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).