tert-butyl N-[(5-oxopyrrolidin-3-yl)methyl]carbamate

C10H18N2O3 — CID 68769671

IUPACtert-butyl N-[(5-oxopyrrolidin-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CNC(=O)C1
InChIInChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-7-4-8(13)11-5-7/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyIIYJKESUJITBBK-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.65
Rot. Bonds2

About tert-butyl N-[(5-oxopyrrolidin-3-yl)methyl]carbamate

tert-butyl N-[(5-oxopyrrolidin-3-yl)methyl]carbamate (PubChem CID 68769671) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is tert-butyl N-[(5-oxopyrrolidin-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-oxopyrrolidin-3-yl)methyl]carbamate
PubChem CID68769671
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nametert-butyl N-[(5-oxopyrrolidin-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CNC(=O)C1
InChIInChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-7-4-8(13)11-5-7/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyIIYJKESUJITBBK-UHFFFAOYSA-N
XLogP0.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-oxopyrrolidin-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(5-oxopyrrolidin-3-yl)methyl]carbamate (CID 68769671) is tert-butyl N-[(5-oxopyrrolidin-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5-oxopyrrolidin-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(5-oxopyrrolidin-3-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CNC(=O)C1.
What is the InChIKey of tert-butyl N-[(5-oxopyrrolidin-3-yl)methyl]carbamate?
The InChIKey is IIYJKESUJITBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-7-4-8(13)11-5-7/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14).
What are the key properties of tert-butyl N-[(5-oxopyrrolidin-3-yl)methyl]carbamate?
tert-butyl N-[(5-oxopyrrolidin-3-yl)methyl]carbamate has a molecular weight of 214.26 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-oxopyrrolidin-3-yl)methyl]carbamate is sourced from PubChem (CID 68769671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).