tert-butyl N-[3-(methoxymethyl)pyrrolidin-3-yl]carbamate

C11H22N2O3 — CID 19382229

IUPACtert-butyl N-[3-(methoxymethyl)pyrrolidin-3-yl]carbamate
SMILESCOCC1(NC(=O)OC(C)(C)C)CCNC1
InChIInChI=1S/C11H22N2O3/c1-10(2,3)16-9(14)13-11(8-15-4)5-6-12-7-11/h12H,5-8H2,1-4H3,(H,13,14)
InChIKeyWPCNYIXNPSVHRI-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.89
Rot. Bonds3

About tert-butyl N-[3-(methoxymethyl)pyrrolidin-3-yl]carbamate

tert-butyl N-[3-(methoxymethyl)pyrrolidin-3-yl]carbamate (PubChem CID 19382229) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[3-(methoxymethyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(methoxymethyl)pyrrolidin-3-yl]carbamate
PubChem CID19382229
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[3-(methoxymethyl)pyrrolidin-3-yl]carbamate
SMILESCOCC1(NC(=O)OC(C)(C)C)CCNC1
InChIInChI=1S/C11H22N2O3/c1-10(2,3)16-9(14)13-11(8-15-4)5-6-12-7-11/h12H,5-8H2,1-4H3,(H,13,14)
InChIKeyWPCNYIXNPSVHRI-UHFFFAOYSA-N
XLogP0.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[3-(methoxymethyl)pyrrolidin-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-[3-(methoxymethyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(methoxymethyl)pyrrolidin-3-yl]carbamate (CID 19382229) is tert-butyl N-[3-(methoxymethyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(methoxymethyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(methoxymethyl)pyrrolidin-3-yl]carbamate is COCC1(NC(=O)OC(C)(C)C)CCNC1.
What is the InChIKey of tert-butyl N-[3-(methoxymethyl)pyrrolidin-3-yl]carbamate?
The InChIKey is WPCNYIXNPSVHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-10(2,3)16-9(14)13-11(8-15-4)5-6-12-7-11/h12H,5-8H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-[3-(methoxymethyl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[3-(methoxymethyl)pyrrolidin-3-yl]carbamate has a molecular weight of 230.31 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(methoxymethyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 19382229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).