tert-butyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propylcarbamate

C13H24N2O3 — CID 167201325

IUPACtert-butyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propylcarbamate
SMILESCCCN(C[C@@H]1CCC(=O)N1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-5-8-15(12(17)18-13(2,3)4)9-10-6-7-11(16)14-10/h10H,5-9H2,1-4H3,(H,14,16)/t10-/m0/s1
InChIKeyPQSRQNDGWBDXLJ-JTQLQIEISA-N
MW256.35 g/mol
LogP1.91
Rot. Bonds4

About tert-butyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propylcarbamate

tert-butyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propylcarbamate (PubChem CID 167201325) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propylcarbamate
PubChem CID167201325
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propylcarbamate
SMILESCCCN(C[C@@H]1CCC(=O)N1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-5-8-15(12(17)18-13(2,3)4)9-10-6-7-11(16)14-10/h10H,5-9H2,1-4H3,(H,14,16)/t10-/m0/s1
InChIKeyPQSRQNDGWBDXLJ-JTQLQIEISA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.91
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)-5-oxopyrrolidin-2-yl]methyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propylcarbamate (CID 167201325) is tert-butyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propylcarbamate is CCCN(C[C@@H]1CCC(=O)N1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propylcarbamate?
The InChIKey is PQSRQNDGWBDXLJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-8-15(12(17)18-13(2,3)4)9-10-6-7-11(16)14-10/h10H,5-9H2,1-4H3,(H,14,16)/t10-/m0/s1.
What are the key properties of tert-butyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propylcarbamate?
tert-butyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propylcarbamate has a molecular weight of 256.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propylcarbamate is sourced from PubChem (CID 167201325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).