tert-butyl N-(1-pyrrolidin-3-ylethyl)carbamate

C11H22N2O2 — CID 14099015

IUPACtert-butyl N-(1-pyrrolidin-3-ylethyl)carbamate
SMILESCC(NC(=O)OC(C)(C)C)C1CCNC1
InChIInChI=1S/C11H22N2O2/c1-8(9-5-6-12-7-9)13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyHJUZGKGDCUOVML-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.51
Rot. Bonds2

About tert-butyl N-(1-pyrrolidin-3-ylethyl)carbamate

tert-butyl N-(1-pyrrolidin-3-ylethyl)carbamate (PubChem CID 14099015) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl N-(1-pyrrolidin-3-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-pyrrolidin-3-ylethyl)carbamate
PubChem CID14099015
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl N-(1-pyrrolidin-3-ylethyl)carbamate
SMILESCC(NC(=O)OC(C)(C)C)C1CCNC1
InChIInChI=1S/C11H22N2O2/c1-8(9-5-6-12-7-9)13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyHJUZGKGDCUOVML-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-pyrrolidin-3-ylethyl)carbamate?
The IUPAC name of tert-butyl N-(1-pyrrolidin-3-ylethyl)carbamate (CID 14099015) is tert-butyl N-(1-pyrrolidin-3-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-pyrrolidin-3-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-(1-pyrrolidin-3-ylethyl)carbamate is CC(NC(=O)OC(C)(C)C)C1CCNC1.
What is the InChIKey of tert-butyl N-(1-pyrrolidin-3-ylethyl)carbamate?
The InChIKey is HJUZGKGDCUOVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(9-5-6-12-7-9)13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-(1-pyrrolidin-3-ylethyl)carbamate?
tert-butyl N-(1-pyrrolidin-3-ylethyl)carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-pyrrolidin-3-ylethyl)carbamate is sourced from PubChem (CID 14099015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).