methyl [3-(methylamino)-3-oxopropyl] carbonate

C6H11NO4 — CID 118406273

IUPACmethyl [3-(methylamino)-3-oxopropyl] carbonate
SMILESCNC(=O)CCOC(=O)OC
InChIInChI=1S/C6H11NO4/c1-7-5(8)3-4-11-6(9)10-2/h3-4H2,1-2H3,(H,7,8)
InChIKeyLBNUYNJNYAFROM-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.09
Rot. Bonds3

About methyl [3-(methylamino)-3-oxopropyl] carbonate

methyl [3-(methylamino)-3-oxopropyl] carbonate (PubChem CID 118406273) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is methyl [3-(methylamino)-3-oxopropyl] carbonate.

Molecular Properties

Compound Namemethyl [3-(methylamino)-3-oxopropyl] carbonate
PubChem CID118406273
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Namemethyl [3-(methylamino)-3-oxopropyl] carbonate
SMILESCNC(=O)CCOC(=O)OC
InChIInChI=1S/C6H11NO4/c1-7-5(8)3-4-11-6(9)10-2/h3-4H2,1-2H3,(H,7,8)
InChIKeyLBNUYNJNYAFROM-UHFFFAOYSA-N
XLogP-0.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;3-methoxy-N-methylpropanamide
CID 178014406
3-[2-(2-methoxyethoxy)ethoxy]-N-methylpropanamide
CID 58019725
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide
CID 129207576
tetrakis(2-hydroxyethyl methyl carbonate);methane;tetrakis(yttrium)
CID 158329975
6-methoxycarbonyloxyhexyl methyl carbonate
CID 20656357
7-methoxycarbonyloxyheptyl methyl carbonate
CID 162779746
methane;methyl 2-(methylamino)ethyl carbonate
CID 160552254
2-methoxyethyl 4-(methylamino)-4-oxobutanoate
CID 159443764
N-methylmethanamine;bis(methyl 4-(methylamino)-4-oxobutanoate)
CID 90688519
ethane;7-methoxy-N-methylheptanamide
CID 142389980
amino 4-(methylamino)-4-oxobutanoate
CID 89307861
1-methoxypropane;methyl propyl carbonate
CID 159112216

Frequently Asked Questions

What is the IUPAC name of methyl [3-(methylamino)-3-oxopropyl] carbonate?
The IUPAC name of methyl [3-(methylamino)-3-oxopropyl] carbonate (CID 118406273) is methyl [3-(methylamino)-3-oxopropyl] carbonate.
What is the SMILES notation for methyl [3-(methylamino)-3-oxopropyl] carbonate?
The canonical SMILES for methyl [3-(methylamino)-3-oxopropyl] carbonate is CNC(=O)CCOC(=O)OC.
What is the InChIKey of methyl [3-(methylamino)-3-oxopropyl] carbonate?
The InChIKey is LBNUYNJNYAFROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-7-5(8)3-4-11-6(9)10-2/h3-4H2,1-2H3,(H,7,8).
What are the key properties of methyl [3-(methylamino)-3-oxopropyl] carbonate?
methyl [3-(methylamino)-3-oxopropyl] carbonate has a molecular weight of 161.16 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [3-(methylamino)-3-oxopropyl] carbonate is sourced from PubChem (CID 118406273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).