tert-butyl N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamate

C12H22N2O3 — CID 168817443

IUPACtert-butyl N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamate
SMILESCC(C)N1C[C@@H](NC(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C12H22N2O3/c1-8(2)14-7-9(6-10(14)15)13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)/t9-/m0/s1
InChIKeyOKQMQBMRLFTYBO-VIFPVBQESA-N
MW242.32 g/mol
LogP1.52
Rot. Bonds2

About tert-butyl N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamate

tert-butyl N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamate (PubChem CID 168817443) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamate
PubChem CID168817443
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamate
SMILESCC(C)N1C[C@@H](NC(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C12H22N2O3/c1-8(2)14-7-9(6-10(14)15)13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)/t9-/m0/s1
InChIKeyOKQMQBMRLFTYBO-VIFPVBQESA-N
XLogP1.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate
CID 45092180
2-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide
CID 110736652
tert-butyl N-(3,5-dioxocyclohexyl)carbamate
CID 84691194
tert-butyl N-[2-methyl-2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propyl]carbamate
CID 95285902
tert-butyl N-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]carbamate
CID 146560939
tert-butyl N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 122445967
tert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate
CID 146600918
1-(2-chloroethyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876829
tert-butyl N-[3-oxo-3-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethylamino]propyl]carbamate
CID 108537211
tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
CID 146394343
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 59424157
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pentadecanamide
CID 167356963

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamate (CID 168817443) is tert-butyl N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamate is CC(C)N1C[C@@H](NC(=O)OC(C)(C)C)CC1=O.
What is the InChIKey of tert-butyl N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamate?
The InChIKey is OKQMQBMRLFTYBO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)14-7-9(6-10(14)15)13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamate?
tert-butyl N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamate has a molecular weight of 242.32 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamate is sourced from PubChem (CID 168817443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).