methyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-(oxolan-3-yl)ethyl]carbamate

C13H22N2O4 — CID 90196570

IUPACmethyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-(oxolan-3-yl)ethyl]carbamate
SMILESCOC(=O)NC(C(=O)N1CCCC1C)C1CCOC1
InChIInChI=1S/C13H22N2O4/c1-9-4-3-6-15(9)12(16)11(14-13(17)18-2)10-5-7-19-8-10/h9-11H,3-8H2,1-2H3,(H,14,17)
InChIKeyKJWVZCHEWGUDSY-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.76
Rot. Bonds3

About methyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-(oxolan-3-yl)ethyl]carbamate

methyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-(oxolan-3-yl)ethyl]carbamate (PubChem CID 90196570) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-(oxolan-3-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-(oxolan-3-yl)ethyl]carbamate
PubChem CID90196570
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Namemethyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-(oxolan-3-yl)ethyl]carbamate
SMILESCOC(=O)NC(C(=O)N1CCCC1C)C1CCOC1
InChIInChI=1S/C13H22N2O4/c1-9-4-3-6-15(9)12(16)11(14-13(17)18-2)10-5-7-19-8-10/h9-11H,3-8H2,1-2H3,(H,14,17)
InChIKeyKJWVZCHEWGUDSY-UHFFFAOYSA-N
XLogP0.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-(oxolan-3-yl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-(oxolan-3-yl)ethyl]carbamate (CID 90196570) is methyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-(oxolan-3-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-(oxolan-3-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-(oxolan-3-yl)ethyl]carbamate is COC(=O)NC(C(=O)N1CCCC1C)C1CCOC1.
What is the InChIKey of methyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-(oxolan-3-yl)ethyl]carbamate?
The InChIKey is KJWVZCHEWGUDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9-4-3-6-15(9)12(16)11(14-13(17)18-2)10-5-7-19-8-10/h9-11H,3-8H2,1-2H3,(H,14,17).
What are the key properties of methyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-(oxolan-3-yl)ethyl]carbamate?
methyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-(oxolan-3-yl)ethyl]carbamate has a molecular weight of 270.33 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-(oxolan-3-yl)ethyl]carbamate is sourced from PubChem (CID 90196570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).