tert-butyl 3-(1-methyltetrazol-5-yl)pyrrolidine-1-carboxylate

C11H19N5O2 — CID 58408497

IUPACtert-butyl 3-(1-methyltetrazol-5-yl)pyrrolidine-1-carboxylate
SMILESCn1nnnc1C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H19N5O2/c1-11(2,3)18-10(17)16-6-5-8(7-16)9-12-13-14-15(9)4/h8H,5-7H2,1-4H3
InChIKeyXDRHRQMTODELAT-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.93
Rot. Bonds1

About tert-butyl 3-(1-methyltetrazol-5-yl)pyrrolidine-1-carboxylate

tert-butyl 3-(1-methyltetrazol-5-yl)pyrrolidine-1-carboxylate (PubChem CID 58408497) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is tert-butyl 3-(1-methyltetrazol-5-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-methyltetrazol-5-yl)pyrrolidine-1-carboxylate
PubChem CID58408497
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Nametert-butyl 3-(1-methyltetrazol-5-yl)pyrrolidine-1-carboxylate
SMILESCn1nnnc1C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H19N5O2/c1-11(2,3)18-10(17)16-6-5-8(7-16)9-12-13-14-15(9)4/h8H,5-7H2,1-4H3
InChIKeyXDRHRQMTODELAT-UHFFFAOYSA-N
XLogP0.93
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-(1-methyltetrazol-5-yl)pyrrolidine-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 3-(1-methyltetrazol-5-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-methyltetrazol-5-yl)pyrrolidine-1-carboxylate (CID 58408497) is tert-butyl 3-(1-methyltetrazol-5-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-methyltetrazol-5-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-methyltetrazol-5-yl)pyrrolidine-1-carboxylate is Cn1nnnc1C1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(1-methyltetrazol-5-yl)pyrrolidine-1-carboxylate?
The InChIKey is XDRHRQMTODELAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-11(2,3)18-10(17)16-6-5-8(7-16)9-12-13-14-15(9)4/h8H,5-7H2,1-4H3.
What are the key properties of tert-butyl 3-(1-methyltetrazol-5-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-(1-methyltetrazol-5-yl)pyrrolidine-1-carboxylate has a molecular weight of 253.31 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-methyltetrazol-5-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 58408497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).