tert-butyl 4-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate

C20H34N2O5 — CID 140836226

IUPACtert-butyl 4-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2(C)CCN(C(=O)OC(C)(C)C)C2=O)CC1
InChIInChI=1S/C20H34N2O5/c1-18(2,3)26-16(24)21-11-8-14(9-12-21)20(7)10-13-22(15(20)23)17(25)27-19(4,5)6/h14H,8-13H2,1-7H3
InChIKeyDOBPYQKZMHFFDW-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.81
Rot. Bonds1

About tert-butyl 4-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate

tert-butyl 4-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate (PubChem CID 140836226) has the molecular formula C20H34N2O5 and a molecular weight of 382.50 g/mol. Its IUPAC name is tert-butyl 4-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate
PubChem CID140836226
Molecular FormulaC20H34N2O5
Molecular Weight382.50 g/mol
Exact Mass382.25
IUPAC Nametert-butyl 4-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2(C)CCN(C(=O)OC(C)(C)C)C2=O)CC1
InChIInChI=1S/C20H34N2O5/c1-18(2,3)26-16(24)21-11-8-14(9-12-21)20(7)10-13-22(15(20)23)17(25)27-19(4,5)6/h14H,8-13H2,1-7H3
InChIKeyDOBPYQKZMHFFDW-UHFFFAOYSA-N
XLogP3.81
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate 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 4-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate (CID 140836226) is tert-butyl 4-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2(C)CCN(C(=O)OC(C)(C)C)C2=O)CC1.
What is the InChIKey of tert-butyl 4-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate?
The InChIKey is DOBPYQKZMHFFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O5/c1-18(2,3)26-16(24)21-11-8-14(9-12-21)20(7)10-13-22(15(20)23)17(25)27-19(4,5)6/h14H,8-13H2,1-7H3.
What are the key properties of tert-butyl 4-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate has a molecular weight of 382.50 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 140836226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).