methyl 2-[(1-methyltetrazol-5-yl)amino]propanoate

C6H11N5O2 — CID 63152412

IUPACmethyl 2-[(1-methyltetrazol-5-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1nnnn1C
InChIInChI=1S/C6H11N5O2/c1-4(5(12)13-3)7-6-8-9-10-11(6)2/h4H,1-3H3,(H,7,8,10)
InChIKeyLTZYLUIVJOWROS-UHFFFAOYSA-N
MW185.19 g/mol
LogP-0.82
Rot. Bonds3

About methyl 2-[(1-methyltetrazol-5-yl)amino]propanoate

methyl 2-[(1-methyltetrazol-5-yl)amino]propanoate (PubChem CID 63152412) has the molecular formula C6H11N5O2 and a molecular weight of 185.19 g/mol. Its IUPAC name is methyl 2-[(1-methyltetrazol-5-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1-methyltetrazol-5-yl)amino]propanoate
PubChem CID63152412
Molecular FormulaC6H11N5O2
Molecular Weight185.19 g/mol
Exact Mass185.09
IUPAC Namemethyl 2-[(1-methyltetrazol-5-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1nnnn1C
InChIInChI=1S/C6H11N5O2/c1-4(5(12)13-3)7-6-8-9-10-11(6)2/h4H,1-3H3,(H,7,8,10)
InChIKeyLTZYLUIVJOWROS-UHFFFAOYSA-N
XLogP-0.82
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methyltetrazol-5-yl)amino]propanoate?
The IUPAC name of methyl 2-[(1-methyltetrazol-5-yl)amino]propanoate (CID 63152412) is methyl 2-[(1-methyltetrazol-5-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(1-methyltetrazol-5-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(1-methyltetrazol-5-yl)amino]propanoate is COC(=O)C(C)Nc1nnnn1C.
What is the InChIKey of methyl 2-[(1-methyltetrazol-5-yl)amino]propanoate?
The InChIKey is LTZYLUIVJOWROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2/c1-4(5(12)13-3)7-6-8-9-10-11(6)2/h4H,1-3H3,(H,7,8,10).
What are the key properties of methyl 2-[(1-methyltetrazol-5-yl)amino]propanoate?
methyl 2-[(1-methyltetrazol-5-yl)amino]propanoate has a molecular weight of 185.19 g/mol, XLogP of -0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methyltetrazol-5-yl)amino]propanoate is sourced from PubChem (CID 63152412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).