ethyl 2-(aminomethyl)-2-[(2-methyltetrazol-5-yl)methyl]pentanoate

C11H21N5O2 — CID 107067047

IUPACethyl 2-(aminomethyl)-2-[(2-methyltetrazol-5-yl)methyl]pentanoate
SMILESCCCC(CN)(Cc1nnn(C)n1)C(=O)OCC
InChIInChI=1S/C11H21N5O2/c1-4-6-11(8-12,10(17)18-5-2)7-9-13-15-16(3)14-9/h4-8,12H2,1-3H3
InChIKeyIXUNSCYKYBUCJY-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.06
Rot. Bonds7

About ethyl 2-(aminomethyl)-2-[(2-methyltetrazol-5-yl)methyl]pentanoate

ethyl 2-(aminomethyl)-2-[(2-methyltetrazol-5-yl)methyl]pentanoate (PubChem CID 107067047) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-2-[(2-methyltetrazol-5-yl)methyl]pentanoate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-2-[(2-methyltetrazol-5-yl)methyl]pentanoate
PubChem CID107067047
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Nameethyl 2-(aminomethyl)-2-[(2-methyltetrazol-5-yl)methyl]pentanoate
SMILESCCCC(CN)(Cc1nnn(C)n1)C(=O)OCC
InChIInChI=1S/C11H21N5O2/c1-4-6-11(8-12,10(17)18-5-2)7-9-13-15-16(3)14-9/h4-8,12H2,1-3H3
InChIKeyIXUNSCYKYBUCJY-UHFFFAOYSA-N
XLogP0.06
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-2-[(2-methyltetrazol-5-yl)methyl]pentanoate?
The IUPAC name of ethyl 2-(aminomethyl)-2-[(2-methyltetrazol-5-yl)methyl]pentanoate (CID 107067047) is ethyl 2-(aminomethyl)-2-[(2-methyltetrazol-5-yl)methyl]pentanoate.
What is the SMILES notation for ethyl 2-(aminomethyl)-2-[(2-methyltetrazol-5-yl)methyl]pentanoate?
The canonical SMILES for ethyl 2-(aminomethyl)-2-[(2-methyltetrazol-5-yl)methyl]pentanoate is CCCC(CN)(Cc1nnn(C)n1)C(=O)OCC.
What is the InChIKey of ethyl 2-(aminomethyl)-2-[(2-methyltetrazol-5-yl)methyl]pentanoate?
The InChIKey is IXUNSCYKYBUCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-4-6-11(8-12,10(17)18-5-2)7-9-13-15-16(3)14-9/h4-8,12H2,1-3H3.
What are the key properties of ethyl 2-(aminomethyl)-2-[(2-methyltetrazol-5-yl)methyl]pentanoate?
ethyl 2-(aminomethyl)-2-[(2-methyltetrazol-5-yl)methyl]pentanoate has a molecular weight of 255.32 g/mol, XLogP of 0.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-2-[(2-methyltetrazol-5-yl)methyl]pentanoate is sourced from PubChem (CID 107067047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).