tert-butyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate

C12H22N2O3 — CID 11831606

IUPACtert-butyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC1
InChIInChI=1S/C12H22N2O3/c1-9(10(15)14-7-5-6-8-14)13-11(16)17-12(2,3)4/h9H,5-8H2,1-4H3,(H,13,16)/t9-/m0/s1
InChIKeyLYZNPJJKVMGOQL-VIFPVBQESA-N
MW242.32 g/mol
LogP1.52
Rot. Bonds2

About tert-butyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate

tert-butyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate (PubChem CID 11831606) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate
PubChem CID11831606
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC1
InChIInChI=1S/C12H22N2O3/c1-9(10(15)14-7-5-6-8-14)13-11(16)17-12(2,3)4/h9H,5-8H2,1-4H3,(H,13,16)/t9-/m0/s1
InChIKeyLYZNPJJKVMGOQL-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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate (CID 11831606) is tert-butyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate is C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC1.
What is the InChIKey of tert-butyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate?
The InChIKey is LYZNPJJKVMGOQL-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(10(15)14-7-5-6-8-14)13-11(16)17-12(2,3)4/h9H,5-8H2,1-4H3,(H,13,16)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-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-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate is sourced from PubChem (CID 11831606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).