methyl 2-methyl-2-(2H-tetrazol-5-ylmethoxy)propanoate

C7H12N4O3 — CID 68921663

IUPACmethyl 2-methyl-2-(2H-tetrazol-5-ylmethoxy)propanoate
SMILESCOC(=O)C(C)(C)OCc1nn[nH]n1
InChIInChI=1S/C7H12N4O3/c1-7(2,6(12)13-3)14-4-5-8-10-11-9-5/h4H2,1-3H3,(H,8,9,10,11)
InChIKeyFZUFKXORJGWDGQ-UHFFFAOYSA-N
MW200.20 g/mol
LogP-0.33
Rot. Bonds4

About methyl 2-methyl-2-(2H-tetrazol-5-ylmethoxy)propanoate

methyl 2-methyl-2-(2H-tetrazol-5-ylmethoxy)propanoate (PubChem CID 68921663) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is methyl 2-methyl-2-(2H-tetrazol-5-ylmethoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(2H-tetrazol-5-ylmethoxy)propanoate
PubChem CID68921663
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Namemethyl 2-methyl-2-(2H-tetrazol-5-ylmethoxy)propanoate
SMILESCOC(=O)C(C)(C)OCc1nn[nH]n1
InChIInChI=1S/C7H12N4O3/c1-7(2,6(12)13-3)14-4-5-8-10-11-9-5/h4H2,1-3H3,(H,8,9,10,11)
InChIKeyFZUFKXORJGWDGQ-UHFFFAOYSA-N
XLogP-0.33
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,2-dimethylpropoxymethyl)-2H-tetrazole
CID 155579956
methyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate
CID 59570909
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2H-tetrazol-5-yl)propanoate
CID 139887175
ethane;1-(2H-tetrazol-5-yl)propan-2-one
CID 156809476
methyl 2-(2H-tetrazol-5-ylmethylamino)butanoate
CID 115353294
2-(aminomethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide
CID 114290570
methyl 2-[(2Z)-2-hydrazinylidene-2-(2-methylhydrazinyl)ethoxy]-2-methylpropanoate
CID 89260201
5-[(3,5-dimethylphenoxy)methyl]-2H-tetrazole
CID 82076911
2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide
CID 22307052
lanthanum;tris(2-(2H-tetrazol-5-yl)acetic acid)
CID 156633731
(2S)-6-methoxy-2-(2H-tetrazol-5-ylmethyl)hexanoic acid
CID 144957467
2-methyl-N'-[2-(2H-tetrazol-5-yl)acetyl]pentanehydrazide
CID 154450387

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(2H-tetrazol-5-ylmethoxy)propanoate?
The IUPAC name of methyl 2-methyl-2-(2H-tetrazol-5-ylmethoxy)propanoate (CID 68921663) is methyl 2-methyl-2-(2H-tetrazol-5-ylmethoxy)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(2H-tetrazol-5-ylmethoxy)propanoate?
The canonical SMILES for methyl 2-methyl-2-(2H-tetrazol-5-ylmethoxy)propanoate is COC(=O)C(C)(C)OCc1nn[nH]n1.
What is the InChIKey of methyl 2-methyl-2-(2H-tetrazol-5-ylmethoxy)propanoate?
The InChIKey is FZUFKXORJGWDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-7(2,6(12)13-3)14-4-5-8-10-11-9-5/h4H2,1-3H3,(H,8,9,10,11).
What are the key properties of methyl 2-methyl-2-(2H-tetrazol-5-ylmethoxy)propanoate?
methyl 2-methyl-2-(2H-tetrazol-5-ylmethoxy)propanoate has a molecular weight of 200.20 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(2H-tetrazol-5-ylmethoxy)propanoate is sourced from PubChem (CID 68921663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).