[1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate;hydrochloride

C10H20ClNO6 — CID 86600930

IUPAC[1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate;hydrochloride
SMILESCCOC(=O)OCC(CNC)OC(=O)OCC.Cl
InChIInChI=1S/C10H19NO6.ClH/c1-4-14-9(12)16-7-8(6-11-3)17-10(13)15-5-2;/h8,11H,4-7H2,1-3H3;1H
InChIKeyJEAPJRHRLBXQJO-UHFFFAOYSA-N
MW285.72 g/mol
LogP1.34
Rot. Bonds7

About [1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate;hydrochloride

[1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate;hydrochloride (PubChem CID 86600930) has the molecular formula C10H20ClNO6 and a molecular weight of 285.72 g/mol. Its IUPAC name is [1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate;hydrochloride.

Molecular Properties

Compound Name[1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate;hydrochloride
PubChem CID86600930
Molecular FormulaC10H20ClNO6
Molecular Weight285.72 g/mol
Exact Mass285.10
IUPAC Name[1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate;hydrochloride
SMILESCCOC(=O)OCC(CNC)OC(=O)OCC.Cl
InChIInChI=1S/C10H19NO6.ClH/c1-4-14-9(12)16-7-8(6-11-3)17-10(13)15-5-2;/h8,11H,4-7H2,1-3H3;1H
InChIKeyJEAPJRHRLBXQJO-UHFFFAOYSA-N
XLogP1.34
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.72
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate;hydrochloride?
The IUPAC name of [1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate;hydrochloride (CID 86600930) is [1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate;hydrochloride.
What is the SMILES notation for [1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate;hydrochloride?
The canonical SMILES for [1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate;hydrochloride is CCOC(=O)OCC(CNC)OC(=O)OCC.Cl.
What is the InChIKey of [1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate;hydrochloride?
The InChIKey is JEAPJRHRLBXQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6.ClH/c1-4-14-9(12)16-7-8(6-11-3)17-10(13)15-5-2;/h8,11H,4-7H2,1-3H3;1H.
What are the key properties of [1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate;hydrochloride?
[1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate;hydrochloride has a molecular weight of 285.72 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate;hydrochloride is sourced from PubChem (CID 86600930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).