methyl 2-[[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-methylamino]acetate

C14H24N6O3 — CID 26326057

IUPACmethyl 2-[[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)Cn1nnnc1CN1CCCCCC1
InChIInChI=1S/C14H24N6O3/c1-18(11-14(22)23-2)13(21)10-20-12(15-16-17-20)9-19-7-5-3-4-6-8-19/h3-11H2,1-2H3
InChIKeyUOINVNYNCFATIU-UHFFFAOYSA-N
MW324.39 g/mol
LogP-0.32
Rot. Bonds6

About methyl 2-[[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-methylamino]acetate

methyl 2-[[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-methylamino]acetate (PubChem CID 26326057) has the molecular formula C14H24N6O3 and a molecular weight of 324.39 g/mol. Its IUPAC name is methyl 2-[[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-methylamino]acetate
PubChem CID26326057
Molecular FormulaC14H24N6O3
Molecular Weight324.39 g/mol
Exact Mass324.19
IUPAC Namemethyl 2-[[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)Cn1nnnc1CN1CCCCCC1
InChIInChI=1S/C14H24N6O3/c1-18(11-14(22)23-2)13(21)10-20-12(15-16-17-20)9-19-7-5-3-4-6-8-19/h3-11H2,1-2H3
InChIKeyUOINVNYNCFATIU-UHFFFAOYSA-N
XLogP-0.32
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-methylamino]acetate 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 methyl 2-[[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-methylamino]acetate (CID 26326057) is methyl 2-[[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-methylamino]acetate is COC(=O)CN(C)C(=O)Cn1nnnc1CN1CCCCCC1.
What is the InChIKey of methyl 2-[[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-methylamino]acetate?
The InChIKey is UOINVNYNCFATIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O3/c1-18(11-14(22)23-2)13(21)10-20-12(15-16-17-20)9-19-7-5-3-4-6-8-19/h3-11H2,1-2H3.
What are the key properties of methyl 2-[[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-methylamino]acetate?
methyl 2-[[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-methylamino]acetate has a molecular weight of 324.39 g/mol, XLogP of -0.32, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-methylamino]acetate is sourced from PubChem (CID 26326057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).