tert-butyl N-pyrrolidin-3-ylcarbamate

C9H18N2O2 — CID 2757234

IUPACtert-butyl N-pyrrolidin-3-ylcarbamate
SMILESCC(C)(C)OC(=O)NC1CCNC1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-4-5-10-6-7/h7,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyDQQJBEAXSOOCPG-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.87
Rot. Bonds1

About tert-butyl N-pyrrolidin-3-ylcarbamate

tert-butyl N-pyrrolidin-3-ylcarbamate (PubChem CID 2757234) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is tert-butyl N-pyrrolidin-3-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-pyrrolidin-3-ylcarbamate
PubChem CID2757234
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nametert-butyl N-pyrrolidin-3-ylcarbamate
SMILESCC(C)(C)OC(=O)NC1CCNC1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-4-5-10-6-7/h7,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyDQQJBEAXSOOCPG-UHFFFAOYSA-N
XLogP0.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-pyrrolidin-3-ylcarbamate 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-pyrrolidin-3-ylcarbamate?
The IUPAC name of tert-butyl N-pyrrolidin-3-ylcarbamate (CID 2757234) is tert-butyl N-pyrrolidin-3-ylcarbamate.
What is the SMILES notation for tert-butyl N-pyrrolidin-3-ylcarbamate?
The canonical SMILES for tert-butyl N-pyrrolidin-3-ylcarbamate is CC(C)(C)OC(=O)NC1CCNC1.
What is the InChIKey of tert-butyl N-pyrrolidin-3-ylcarbamate?
The InChIKey is DQQJBEAXSOOCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-4-5-10-6-7/h7,10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of tert-butyl N-pyrrolidin-3-ylcarbamate?
tert-butyl N-pyrrolidin-3-ylcarbamate has a molecular weight of 186.25 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-pyrrolidin-3-ylcarbamate is sourced from PubChem (CID 2757234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).