methyl 2-hydroxy-2-(2-methyltetrazol-5-yl)acetate

C5H8N4O3 — CID 127004730

IUPACmethyl 2-hydroxy-2-(2-methyltetrazol-5-yl)acetate
SMILESCOC(=O)C(O)c1nnn(C)n1
InChIInChI=1S/C5H8N4O3/c1-9-7-4(6-8-9)3(10)5(11)12-2/h3,10H,1-2H3
InChIKeyLPPIABZCPWXOQB-UHFFFAOYSA-N
MW172.14 g/mol
LogP-1.58
Rot. Bonds2

About methyl 2-hydroxy-2-(2-methyltetrazol-5-yl)acetate

methyl 2-hydroxy-2-(2-methyltetrazol-5-yl)acetate (PubChem CID 127004730) has the molecular formula C5H8N4O3 and a molecular weight of 172.14 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(2-methyltetrazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(2-methyltetrazol-5-yl)acetate
PubChem CID127004730
Molecular FormulaC5H8N4O3
Molecular Weight172.14 g/mol
Exact Mass172.06
IUPAC Namemethyl 2-hydroxy-2-(2-methyltetrazol-5-yl)acetate
SMILESCOC(=O)C(O)c1nnn(C)n1
InChIInChI=1S/C5H8N4O3/c1-9-7-4(6-8-9)3(10)5(11)12-2/h3,10H,1-2H3
InChIKeyLPPIABZCPWXOQB-UHFFFAOYSA-N
XLogP-1.58
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(2-methyltetrazol-5-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(2-methyltetrazol-5-yl)acetate (CID 127004730) is methyl 2-hydroxy-2-(2-methyltetrazol-5-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(2-methyltetrazol-5-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(2-methyltetrazol-5-yl)acetate is COC(=O)C(O)c1nnn(C)n1.
What is the InChIKey of methyl 2-hydroxy-2-(2-methyltetrazol-5-yl)acetate?
The InChIKey is LPPIABZCPWXOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O3/c1-9-7-4(6-8-9)3(10)5(11)12-2/h3,10H,1-2H3.
What are the key properties of methyl 2-hydroxy-2-(2-methyltetrazol-5-yl)acetate?
methyl 2-hydroxy-2-(2-methyltetrazol-5-yl)acetate has a molecular weight of 172.14 g/mol, XLogP of -1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(2-methyltetrazol-5-yl)acetate is sourced from PubChem (CID 127004730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).