methyl N-[2-oxo-2-(2-propylpyrrolidin-1-yl)ethyl]carbamate

C11H20N2O3 — CID 144841415

IUPACmethyl N-[2-oxo-2-(2-propylpyrrolidin-1-yl)ethyl]carbamate
SMILESCCCC1CCCN1C(=O)CNC(=O)OC
InChIInChI=1S/C11H20N2O3/c1-3-5-9-6-4-7-13(9)10(14)8-12-11(15)16-2/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyXFGFXZXRWHUIGA-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.13
Rot. Bonds4

About methyl N-[2-oxo-2-(2-propylpyrrolidin-1-yl)ethyl]carbamate

methyl N-[2-oxo-2-(2-propylpyrrolidin-1-yl)ethyl]carbamate (PubChem CID 144841415) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl N-[2-oxo-2-(2-propylpyrrolidin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-oxo-2-(2-propylpyrrolidin-1-yl)ethyl]carbamate
PubChem CID144841415
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl N-[2-oxo-2-(2-propylpyrrolidin-1-yl)ethyl]carbamate
SMILESCCCC1CCCN1C(=O)CNC(=O)OC
InChIInChI=1S/C11H20N2O3/c1-3-5-9-6-4-7-13(9)10(14)8-12-11(15)16-2/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyXFGFXZXRWHUIGA-UHFFFAOYSA-N
XLogP1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 70317930
tert-butyl N-[2-oxo-2-[2-(sulfanylmethyl)pyrrolidin-1-yl]ethyl]carbamate
CID 20623549
1-(2-propylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 83053784
N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]butanamide
CID 119651064
2-bromo-1-(2-propylpiperidin-1-yl)ethanone
CID 83053246
6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid
CID 83052295
methyl N-[2-[2-[[[2-[(Z)-hept-1-enyl]-1-(methylcarbamoyl)cyclobutyl]amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 123542318
methyl N-[2-[(2R)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 144971063
2-(2-aminocyclohexyl)-1-(2-propylpiperidin-1-yl)ethanone
CID 83061947
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one
CID 63767295
methyl 2-dodecylpyrrolidine-1-carboxylate
CID 175232905

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-oxo-2-(2-propylpyrrolidin-1-yl)ethyl]carbamate?
The IUPAC name of methyl N-[2-oxo-2-(2-propylpyrrolidin-1-yl)ethyl]carbamate (CID 144841415) is methyl N-[2-oxo-2-(2-propylpyrrolidin-1-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-oxo-2-(2-propylpyrrolidin-1-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-oxo-2-(2-propylpyrrolidin-1-yl)ethyl]carbamate is CCCC1CCCN1C(=O)CNC(=O)OC.
What is the InChIKey of methyl N-[2-oxo-2-(2-propylpyrrolidin-1-yl)ethyl]carbamate?
The InChIKey is XFGFXZXRWHUIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-5-9-6-4-7-13(9)10(14)8-12-11(15)16-2/h9H,3-8H2,1-2H3,(H,12,15).
What are the key properties of methyl N-[2-oxo-2-(2-propylpyrrolidin-1-yl)ethyl]carbamate?
methyl N-[2-oxo-2-(2-propylpyrrolidin-1-yl)ethyl]carbamate has a molecular weight of 228.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-oxo-2-(2-propylpyrrolidin-1-yl)ethyl]carbamate is sourced from PubChem (CID 144841415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).