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

C10H19NO6 — CID 59769507

IUPAC[1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate
SMILESCCOC(=O)OCC(CNC)OC(=O)OCC
InChIInChI=1S/C10H19NO6/c1-4-14-9(12)16-7-8(6-11-3)17-10(13)15-5-2/h8,11H,4-7H2,1-3H3
InChIKeyPYIUTNOZMNCXSI-UHFFFAOYSA-N
MW249.26 g/mol
LogP0.92
Rot. Bonds7

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

[1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate (PubChem CID 59769507) has the molecular formula C10H19NO6 and a molecular weight of 249.26 g/mol. Its IUPAC name is [1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate.

Molecular Properties

Compound Name[1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate
PubChem CID59769507
Molecular FormulaC10H19NO6
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name[1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate
SMILESCCOC(=O)OCC(CNC)OC(=O)OCC
InChIInChI=1S/C10H19NO6/c1-4-14-9(12)16-7-8(6-11-3)17-10(13)15-5-2/h8,11H,4-7H2,1-3H3
InChIKeyPYIUTNOZMNCXSI-UHFFFAOYSA-N
XLogP0.92
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate;hydrochloride
CID 86600930
CID 175796855
CID 175796855
2-ethoxybutyl ethyl carbonate
CID 87247683
ethane;ethyl heptan-4-yl carbonate
CID 143752690
diethyl carbonate;dimethyl carbonate;ethyl methyl carbonate
CID 87546918
2-[2,3-bis(ethoxycarbonyloxy)propoxy]ethyl prop-2-enoate
CID 139834404
methyl 2-amino-2-ethoxycarbonyloxyacetate
CID 134425335
ethyl (2S)-2-amino-3-(methylamino)propanoate
CID 59103878
1,3-bis[2-(2-hydroxybutoxycarbonyloxy)ethoxycarbonyloxy]propan-2-yl 2-(2-hydroxybutoxycarbonyloxy)ethyl carbonate
CID 153455041
acetylene;diethyl carbonate
CID 87073597
magnesium;diethyl carbonate;hydride
CID 173249173
2,3-dihydroxypropyl ethyl carbonate
CID 87609123

Frequently Asked Questions

What is the IUPAC name of [1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate?
The IUPAC name of [1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate (CID 59769507) is [1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate.
What is the SMILES notation for [1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate?
The canonical SMILES for [1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate is CCOC(=O)OCC(CNC)OC(=O)OCC.
What is the InChIKey of [1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate?
The InChIKey is PYIUTNOZMNCXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6/c1-4-14-9(12)16-7-8(6-11-3)17-10(13)15-5-2/h8,11H,4-7H2,1-3H3.
What are the key properties of [1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate?
[1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate has a molecular weight of 249.26 g/mol, XLogP of 0.92, 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 is sourced from PubChem (CID 59769507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).