tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate

C10H18N2O3 — CID 68911736

IUPACtert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate
SMILESCN1CCC(NC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)11-7-5-6-12(4)8(7)13/h7H,5-6H2,1-4H3,(H,11,14)
InChIKeyAQTGZJWIZODIFY-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.74
Rot. Bonds1

About tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate

tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate (PubChem CID 68911736) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate
PubChem CID68911736
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nametert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate
SMILESCN1CCC(NC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)11-7-5-6-12(4)8(7)13/h7H,5-6H2,1-4H3,(H,11,14)
InChIKeyAQTGZJWIZODIFY-UHFFFAOYSA-N
XLogP0.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate
CID 45092234
tert-butyl N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]carbamate
CID 72533232
2-hydroxy-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)propanamide
CID 106509766
tert-butyl N-[(1-methyl-2-oxopiperidin-3-yl)amino]carbamate
CID 174587021
tert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate
CID 58735408
tert-butyl N-[(3S)-1-(cyclopropanecarbonyl)-2-oxoazepan-3-yl]carbamate
CID 91311843
tert-butyl N-[(3R)-1-(cyclohexylmethyl)-2-oxopyrrolidin-3-yl]carbamate
CID 86603752
tert-butyl N-[(3R)-1-(1-carbamoylcyclopentyl)-2-oxopyrrolidin-3-yl]carbamate
CID 10614962
tert-butyl N-[(9aR)-6-methyl-4-oxo-1,2,3,6,7,8,9,9a-octahydroquinolizin-3-yl]carbamate
CID 71274909
tert-butyl N-[(3S)-1-(cyclohexanecarbonyl)-2-oxoazepan-3-yl]carbamate
CID 90883687
tert-butyl N-[[2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]cyclohexyl]methyl]carbamate
CID 106253113
tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopiperidine-1-carboxylate
CID 71567400

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate (CID 68911736) is tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate is CN1CCC(NC(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate?
The InChIKey is AQTGZJWIZODIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)11-7-5-6-12(4)8(7)13/h7H,5-6H2,1-4H3,(H,11,14).
What are the key properties of tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate?
tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate has a molecular weight of 214.26 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate is sourced from PubChem (CID 68911736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).