tert-butyl 3-[1-(methylamino)-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate

C14H26N6O2 — CID 107092803

IUPACtert-butyl 3-[1-(methylamino)-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate
SMILESCNC(Cc1nnn(C)n1)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N6O2/c1-14(2,3)22-13(21)20-7-6-10(9-20)11(15-4)8-12-16-18-19(5)17-12/h10-11,15H,6-9H2,1-5H3
InChIKeyHAWNVSBDJBRTFW-UHFFFAOYSA-N
MW310.40 g/mol
LogP0.60
Rot. Bonds4

About tert-butyl 3-[1-(methylamino)-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate

tert-butyl 3-[1-(methylamino)-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate (PubChem CID 107092803) has the molecular formula C14H26N6O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl 3-[1-(methylamino)-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(methylamino)-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate
PubChem CID107092803
Molecular FormulaC14H26N6O2
Molecular Weight310.40 g/mol
Exact Mass310.21
IUPAC Nametert-butyl 3-[1-(methylamino)-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate
SMILESCNC(Cc1nnn(C)n1)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N6O2/c1-14(2,3)22-13(21)20-7-6-10(9-20)11(15-4)8-12-16-18-19(5)17-12/h10-11,15H,6-9H2,1-5H3
InChIKeyHAWNVSBDJBRTFW-UHFFFAOYSA-N
XLogP0.60
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[1-(methylamino)-2-(2-methyltetrazol-5-yl)ethyl]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

Related Compounds

Tert-butyl 3-(2-methyl-2H-tetrazol-5-YL)pyrrolidine-1-carboxylate
CID 53429458
tert-butyl [(1S,2R)-2-(2H-tetrazole-5-yl)cyclopentyl]carbamate
CID 59453988
tert-butyl (3R)-3-(2-methyltetrazol-5-yl)pyrrolidine-1-carboxylate
CID 67389806
tert-butyl N-[4-(2-methyltetrazol-5-yl)cyclohexyl]carbamate
CID 146389194
tert-butyl (7S,8aS)-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-1,3,4,5,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-5-ium-2-carboxylate
CID 25324792
tert-butyl (7R,8aS)-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-1,3,4,5,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-5-ium-2-carboxylate
CID 25324797
Tert-butyl 3-(2-propan-2-yltetrazol-5-yl)pyrrolidine-1-carboxylate
CID 53429457
tert-butyl (3S)-3-(2-methyltetrazol-5-yl)pyrrolidine-1-carboxylate
CID 96537418
tert-butyl N-[[2-[1-(2H-tetrazol-5-yl)ethylamino]cyclopentyl]methyl]carbamate
CID 103695755
tert-butyl 2-[2-[1-(2H-tetrazol-5-yl)ethylamino]propyl]pyrrolidine-1-carboxylate
CID 103723673
Tert-butyl 3-[1-amino-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate
CID 107092802
Tert-butyl 3-[1-(ethylamino)-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate
CID 107092804

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(methylamino)-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(methylamino)-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate (CID 107092803) is tert-butyl 3-[1-(methylamino)-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(methylamino)-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(methylamino)-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate is CNC(Cc1nnn(C)n1)C1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-(methylamino)-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate?
The InChIKey is HAWNVSBDJBRTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O2/c1-14(2,3)22-13(21)20-7-6-10(9-20)11(15-4)8-12-16-18-19(5)17-12/h10-11,15H,6-9H2,1-5H3.
What are the key properties of tert-butyl 3-[1-(methylamino)-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[1-(methylamino)-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate has a molecular weight of 310.40 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(methylamino)-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 107092803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).