tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate

C12H22N2O3 — CID 63789574

IUPACtert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
SMILESCC(CN1CCCC1=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-9(8-14-7-5-6-10(14)15)13-11(16)17-12(2,3)4/h9H,5-8H2,1-4H3,(H,13,16)
InChIKeyFYCCCIYKRMWOTM-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.52
Rot. Bonds3

About tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate

tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate (PubChem CID 63789574) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
PubChem CID63789574
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
SMILESCC(CN1CCCC1=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-9(8-14-7-5-6-10(14)15)13-11(16)17-12(2,3)4/h9H,5-8H2,1-4H3,(H,13,16)
InChIKeyFYCCCIYKRMWOTM-UHFFFAOYSA-N
XLogP1.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]carbamate
CID 115607353
phenyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 61069095
1-cyclobutyl-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 136524316
1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one
CID 54865922
tert-butyl N-[1-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]piperidin-3-yl]carbamate
CID 122155596
2-(cyclopropylamino)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]acetamide
CID 54863219
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957992
tert-butyl N-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]carbamate
CID 174380521
tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
CID 58441909
tert-butyl N-[(2S)-1-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)propan-2-yl]carbamate
CID 70159519
3-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 102778392
1-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]pyrrolidin-2-one
CID 81411750

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate (CID 63789574) is tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate is CC(CN1CCCC1=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate?
The InChIKey is FYCCCIYKRMWOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(8-14-7-5-6-10(14)15)13-11(16)17-12(2,3)4/h9H,5-8H2,1-4H3,(H,13,16).
What are the key properties of tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate?
tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate has a molecular weight of 242.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate is sourced from PubChem (CID 63789574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).