[(2S,5S)-4-hydroxy-5-methoxy-2-methyloxolan-3-yl] 2-[4-[2-(methylamino)-2-oxoethoxy]phenoxy]acetate

C17H23NO8 — CID 58533934

IUPAC[(2S,5S)-4-hydroxy-5-methoxy-2-methyloxolan-3-yl] 2-[4-[2-(methylamino)-2-oxoethoxy]phenoxy]acetate
SMILESCNC(=O)COc1ccc(OCC(=O)OC2C(O)[C@@H](OC)O[C@H]2C)cc1
InChIInChI=1S/C17H23NO8/c1-10-16(15(21)17(22-3)25-10)26-14(20)9-24-12-6-4-11(5-7-12)23-8-13(19)18-2/h4-7,10,15-17,21H,8-9H2,1-3H3,(H,18,19)/t10-,15?,16?,17-/m0/s1
InChIKeyAVEVOELWTVCCQF-ZFXDNOLMSA-N
MW369.37 g/mol
LogP-0.15
Rot. Bonds8

About [(2S,5S)-4-hydroxy-5-methoxy-2-methyloxolan-3-yl] 2-[4-[2-(methylamino)-2-oxoethoxy]phenoxy]acetate

[(2S,5S)-4-hydroxy-5-methoxy-2-methyloxolan-3-yl] 2-[4-[2-(methylamino)-2-oxoethoxy]phenoxy]acetate (PubChem CID 58533934) has the molecular formula C17H23NO8 and a molecular weight of 369.37 g/mol. Its IUPAC name is [(2S,5S)-4-hydroxy-5-methoxy-2-methyloxolan-3-yl] 2-[4-[2-(methylamino)-2-oxoethoxy]phenoxy]acetate.

Molecular Properties

Compound Name[(2S,5S)-4-hydroxy-5-methoxy-2-methyloxolan-3-yl] 2-[4-[2-(methylamino)-2-oxoethoxy]phenoxy]acetate
PubChem CID58533934
Molecular FormulaC17H23NO8
Molecular Weight369.37 g/mol
Exact Mass369.14
IUPAC Name[(2S,5S)-4-hydroxy-5-methoxy-2-methyloxolan-3-yl] 2-[4-[2-(methylamino)-2-oxoethoxy]phenoxy]acetate
SMILESCNC(=O)COc1ccc(OCC(=O)OC2C(O)[C@@H](OC)O[C@H]2C)cc1
InChIInChI=1S/C17H23NO8/c1-10-16(15(21)17(22-3)25-10)26-14(20)9-24-12-6-4-11(5-7-12)23-8-13(19)18-2/h4-7,10,15-17,21H,8-9H2,1-3H3,(H,18,19)/t10-,15?,16?,17-/m0/s1
InChIKeyAVEVOELWTVCCQF-ZFXDNOLMSA-N
XLogP-0.15
TPSA112.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(2S,5S)-4-hydroxy-5-methoxy-2-methyloxolan-3-yl] 2-[4-[2-(methylamino)-2-oxoethoxy]phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-4-hydroxy-5-methoxy-2-methyloxolan-3-yl] 2-[4-[2-(methylamino)-2-oxoethoxy]phenoxy]acetate?
The IUPAC name of [(2S,5S)-4-hydroxy-5-methoxy-2-methyloxolan-3-yl] 2-[4-[2-(methylamino)-2-oxoethoxy]phenoxy]acetate (CID 58533934) is [(2S,5S)-4-hydroxy-5-methoxy-2-methyloxolan-3-yl] 2-[4-[2-(methylamino)-2-oxoethoxy]phenoxy]acetate.
What is the SMILES notation for [(2S,5S)-4-hydroxy-5-methoxy-2-methyloxolan-3-yl] 2-[4-[2-(methylamino)-2-oxoethoxy]phenoxy]acetate?
The canonical SMILES for [(2S,5S)-4-hydroxy-5-methoxy-2-methyloxolan-3-yl] 2-[4-[2-(methylamino)-2-oxoethoxy]phenoxy]acetate is CNC(=O)COc1ccc(OCC(=O)OC2C(O)[C@@H](OC)O[C@H]2C)cc1.
What is the InChIKey of [(2S,5S)-4-hydroxy-5-methoxy-2-methyloxolan-3-yl] 2-[4-[2-(methylamino)-2-oxoethoxy]phenoxy]acetate?
The InChIKey is AVEVOELWTVCCQF-ZFXDNOLMSA-N. The full InChI is InChI=1S/C17H23NO8/c1-10-16(15(21)17(22-3)25-10)26-14(20)9-24-12-6-4-11(5-7-12)23-8-13(19)18-2/h4-7,10,15-17,21H,8-9H2,1-3H3,(H,18,19)/t10-,15?,16?,17-/m0/s1.
What are the key properties of [(2S,5S)-4-hydroxy-5-methoxy-2-methyloxolan-3-yl] 2-[4-[2-(methylamino)-2-oxoethoxy]phenoxy]acetate?
[(2S,5S)-4-hydroxy-5-methoxy-2-methyloxolan-3-yl] 2-[4-[2-(methylamino)-2-oxoethoxy]phenoxy]acetate has a molecular weight of 369.37 g/mol, XLogP of -0.15, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-4-hydroxy-5-methoxy-2-methyloxolan-3-yl] 2-[4-[2-(methylamino)-2-oxoethoxy]phenoxy]acetate is sourced from PubChem (CID 58533934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).