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

C8H15N5O2 — CID 63150049

IUPACethyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate
SMILESCCOC(=O)CCN(C)c1nnnn1C
InChIInChI=1S/C8H15N5O2/c1-4-15-7(14)5-6-12(2)8-9-10-11-13(8)3/h4-6H2,1-3H3
InChIKeyPMSPCQIPMSBWKU-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.40
Rot. Bonds5

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

ethyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate (PubChem CID 63150049) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is ethyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate
PubChem CID63150049
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Nameethyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate
SMILESCCOC(=O)CCN(C)c1nnnn1C
InChIInChI=1S/C8H15N5O2/c1-4-15-7(14)5-6-12(2)8-9-10-11-13(8)3/h4-6H2,1-3H3
InChIKeyPMSPCQIPMSBWKU-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 ethyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate?
The IUPAC name of ethyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate (CID 63150049) is ethyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate is CCOC(=O)CCN(C)c1nnnn1C.
What is the InChIKey of ethyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate?
The InChIKey is PMSPCQIPMSBWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-4-15-7(14)5-6-12(2)8-9-10-11-13(8)3/h4-6H2,1-3H3.
What are the key properties of ethyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate?
ethyl 3-[methyl-(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 ethyl 3-[methyl-(1-methyltetrazol-5-yl)amino]propanoate is sourced from PubChem (CID 63150049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).