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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate
CID 67612069
methyl N-[1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 68574299
methyl N-[(1S)-2-(2-tert-butylpyrrolidin-1-yl)-1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 163669024
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 145019420
2-methoxy-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 130847241
methyl N-[2-[2-(5-bromo-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 77194666
methyl N-[(1S)-2-[(2S)-2-[6-[[N-[[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-2-(oxolan-3-yl)acetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]methyl]anilino]methyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate
CID 59540141
methyl N-[2-oxo-1-(oxolan-3-yl)-2-[(2S)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]carbamate
CID 140809241
(2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
CID 86330213
methyl N-[2-amino-1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 123481327
methyl N-[(1S)-2-[(2S)-2-[6-[(2R,5R)-1-(4-fluorophenyl)-5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-2-(oxolan-3-yl)acetyl]pyrrolidin-2-yl]-3H-indol-6-yl]pyrrolidin-2-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate
CID 162029403

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).