methyl 3-[ethyl-(1-methyltetrazol-5-yl)amino]propanoate

C8H15N5O2 — CID 63149956

IUPACmethyl 3-[ethyl-(1-methyltetrazol-5-yl)amino]propanoate
SMILESCCN(CCC(=O)OC)c1nnnn1C
InChIInChI=1S/C8H15N5O2/c1-4-13(6-5-7(14)15-3)8-9-10-11-12(8)2/h4-6H2,1-3H3
InChIKeyWJYYCQZUJVCQDK-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.40
Rot. Bonds5

About methyl 3-[ethyl-(1-methyltetrazol-5-yl)amino]propanoate

methyl 3-[ethyl-(1-methyltetrazol-5-yl)amino]propanoate (PubChem CID 63149956) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is methyl 3-[ethyl-(1-methyltetrazol-5-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-(1-methyltetrazol-5-yl)amino]propanoate
PubChem CID63149956
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Namemethyl 3-[ethyl-(1-methyltetrazol-5-yl)amino]propanoate
SMILESCCN(CCC(=O)OC)c1nnnn1C
InChIInChI=1S/C8H15N5O2/c1-4-13(6-5-7(14)15-3)8-9-10-11-12(8)2/h4-6H2,1-3H3
InChIKeyWJYYCQZUJVCQDK-UHFFFAOYSA-N
XLogP-0.40
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-(1-methyltetrazol-5-yl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl-(1-methyltetrazol-5-yl)amino]propanoate (CID 63149956) is methyl 3-[ethyl-(1-methyltetrazol-5-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-(1-methyltetrazol-5-yl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-(1-methyltetrazol-5-yl)amino]propanoate is CCN(CCC(=O)OC)c1nnnn1C.
What is the InChIKey of methyl 3-[ethyl-(1-methyltetrazol-5-yl)amino]propanoate?
The InChIKey is WJYYCQZUJVCQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-4-13(6-5-7(14)15-3)8-9-10-11-12(8)2/h4-6H2,1-3H3.
What are the key properties of methyl 3-[ethyl-(1-methyltetrazol-5-yl)amino]propanoate?
methyl 3-[ethyl-(1-methyltetrazol-5-yl)amino]propanoate has a molecular weight of 213.24 g/mol, XLogP of -0.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-(1-methyltetrazol-5-yl)amino]propanoate is sourced from PubChem (CID 63149956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).