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

C13H12FNO5 — CID 5034282

IUPAC(2-oxooxolan-3-yl) 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OC1CCOC1=O
InChIInChI=1S/C13H12FNO5/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)
InChIKeyAJQOZKFHPZRLMQ-UHFFFAOYSA-N
MW281.24 g/mol
LogP0.41
Rot. Bonds4

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

(2-oxooxolan-3-yl) 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 5034282) has the molecular formula C13H12FNO5 and a molecular weight of 281.24 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID5034282
Molecular FormulaC13H12FNO5
Molecular Weight281.24 g/mol
Exact Mass281.07
IUPAC Name(2-oxooxolan-3-yl) 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OC1CCOC1=O
InChIInChI=1S/C13H12FNO5/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)
InChIKeyAJQOZKFHPZRLMQ-UHFFFAOYSA-N
XLogP0.41
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 50.41
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-fluorobenzoyl)amino]acetate?
The IUPAC name of (2-oxooxolan-3-yl) 2-[(2-fluorobenzoyl)amino]acetate (CID 5034282) is (2-oxooxolan-3-yl) 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-[(2-fluorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccccc1F)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is AJQOZKFHPZRLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO5/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-fluorobenzoyl)amino]acetate?
(2-oxooxolan-3-yl) 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 281.24 g/mol, XLogP of 0.41, 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-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 5034282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).