(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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Related Compounds

Glycine, N-(2-chlorobenzoyl)-, methyl ester
CID 531380
2-(2-Chlorophenyl)-2-oxoethyl (benzoylamino)acetate
CID 1615618
[2-(Cyclopentylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate
CID 2407437
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 16240695
(2-Amino-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]acetate
CID 2118289
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 2435045
[2-(Cyclopropylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate
CID 2108224
[2-(Cyclopropylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 2111234
(2-Oxocyclohexyl) 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 4036447
(2-Oxooxolan-3-yl) 2-[(2-fluorobenzoyl)amino]acetate
CID 5034282
(2-oxo-2-piperidin-1-ylethyl) (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 7442821
Benzamide, p-chloro-N-(2-oxotetrahydro-3-furyl)-
CID 53720

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).