(2-oxooxolan-3-yl) 2-[(3,5-dimethoxybenzoyl)amino]acetate

C15H17NO7 — CID 2999150

IUPAC(2-oxooxolan-3-yl) 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)OC2CCOC2=O)c1
InChIInChI=1S/C15H17NO7/c1-20-10-5-9(6-11(7-10)21-2)14(18)16-8-13(17)23-12-3-4-22-15(12)19/h5-7,12H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyCLSSJHSBQJQNDV-UHFFFAOYSA-N
MW323.30 g/mol
LogP0.29
Rot. Bonds6

About (2-oxooxolan-3-yl) 2-[(3,5-dimethoxybenzoyl)amino]acetate

(2-oxooxolan-3-yl) 2-[(3,5-dimethoxybenzoyl)amino]acetate (PubChem CID 2999150) has the molecular formula C15H17NO7 and a molecular weight of 323.30 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-[(3,5-dimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-[(3,5-dimethoxybenzoyl)amino]acetate
PubChem CID2999150
Molecular FormulaC15H17NO7
Molecular Weight323.30 g/mol
Exact Mass323.10
IUPAC Name(2-oxooxolan-3-yl) 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)OC2CCOC2=O)c1
InChIInChI=1S/C15H17NO7/c1-20-10-5-9(6-11(7-10)21-2)14(18)16-8-13(17)23-12-3-4-22-15(12)19/h5-7,12H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyCLSSJHSBQJQNDV-UHFFFAOYSA-N
XLogP0.29
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The IUPAC name of (2-oxooxolan-3-yl) 2-[(3,5-dimethoxybenzoyl)amino]acetate (CID 2999150) is (2-oxooxolan-3-yl) 2-[(3,5-dimethoxybenzoyl)amino]acetate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-[(3,5-dimethoxybenzoyl)amino]acetate is COc1cc(OC)cc(C(=O)NCC(=O)OC2CCOC2=O)c1.
What is the InChIKey of (2-oxooxolan-3-yl) 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The InChIKey is CLSSJHSBQJQNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO7/c1-20-10-5-9(6-11(7-10)21-2)14(18)16-8-13(17)23-12-3-4-22-15(12)19/h5-7,12H,3-4,8H2,1-2H3,(H,16,18).
What are the key properties of (2-oxooxolan-3-yl) 2-[(3,5-dimethoxybenzoyl)amino]acetate?
(2-oxooxolan-3-yl) 2-[(3,5-dimethoxybenzoyl)amino]acetate has a molecular weight of 323.30 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2-[(3,5-dimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 2999150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).