tert-butyl N-[2-(2-methoxyphenyl)pyrrolidin-3-yl]carbamate

C16H24N2O3 — CID 84815022

IUPACtert-butyl N-[2-(2-methoxyphenyl)pyrrolidin-3-yl]carbamate
SMILESCOc1ccccc1C1NCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-12-9-10-17-14(12)11-7-5-6-8-13(11)20-4/h5-8,12,14,17H,9-10H2,1-4H3,(H,18,19)
InChIKeyLPOXHDUECCVSSW-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.62
Rot. Bonds3

About tert-butyl N-[2-(2-methoxyphenyl)pyrrolidin-3-yl]carbamate

tert-butyl N-[2-(2-methoxyphenyl)pyrrolidin-3-yl]carbamate (PubChem CID 84815022) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methoxyphenyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methoxyphenyl)pyrrolidin-3-yl]carbamate
PubChem CID84815022
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl N-[2-(2-methoxyphenyl)pyrrolidin-3-yl]carbamate
SMILESCOc1ccccc1C1NCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-12-9-10-17-14(12)11-7-5-6-8-13(11)20-4/h5-8,12,14,17H,9-10H2,1-4H3,(H,18,19)
InChIKeyLPOXHDUECCVSSW-UHFFFAOYSA-N
XLogP2.62
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-(2-methoxyphenyl)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-[2-(2-methoxyphenyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methoxyphenyl)pyrrolidin-3-yl]carbamate (CID 84815022) is tert-butyl N-[2-(2-methoxyphenyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methoxyphenyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methoxyphenyl)pyrrolidin-3-yl]carbamate is COc1ccccc1C1NCCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-methoxyphenyl)pyrrolidin-3-yl]carbamate?
The InChIKey is LPOXHDUECCVSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-12-9-10-17-14(12)11-7-5-6-8-13(11)20-4/h5-8,12,14,17H,9-10H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[2-(2-methoxyphenyl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[2-(2-methoxyphenyl)pyrrolidin-3-yl]carbamate has a molecular weight of 292.38 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methoxyphenyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 84815022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).