tert-butyl N-(1-benzylpyrrolidin-3-yl)carbamate

C16H24N2O2 — CID 3575823

IUPACtert-butyl N-(1-benzylpyrrolidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)17-14-9-10-18(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19)
InChIKeyPHOIDJGLYWEUEK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.79
Rot. Bonds3

About tert-butyl N-(1-benzylpyrrolidin-3-yl)carbamate

tert-butyl N-(1-benzylpyrrolidin-3-yl)carbamate (PubChem CID 3575823) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl N-(1-benzylpyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-benzylpyrrolidin-3-yl)carbamate
PubChem CID3575823
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl N-(1-benzylpyrrolidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)17-14-9-10-18(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19)
InChIKeyPHOIDJGLYWEUEK-UHFFFAOYSA-N
XLogP2.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(1-benzylpyrrolidin-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-benzylpyrrolidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-benzylpyrrolidin-3-yl)carbamate (CID 3575823) is tert-butyl N-(1-benzylpyrrolidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-benzylpyrrolidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-benzylpyrrolidin-3-yl)carbamate is CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of tert-butyl N-(1-benzylpyrrolidin-3-yl)carbamate?
The InChIKey is PHOIDJGLYWEUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)17-14-9-10-18(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-(1-benzylpyrrolidin-3-yl)carbamate?
tert-butyl N-(1-benzylpyrrolidin-3-yl)carbamate has a molecular weight of 276.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-benzylpyrrolidin-3-yl)carbamate is sourced from PubChem (CID 3575823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).