ethyl 2-(2,3-dimethyltetrazolidin-5-yl)acetate

C7H16N4O2 — CID 163879757

IUPACethyl 2-(2,3-dimethyltetrazolidin-5-yl)acetate
SMILESCCOC(=O)CC1NN(C)N(C)N1
InChIInChI=1S/C7H16N4O2/c1-4-13-7(12)5-6-8-10(2)11(3)9-6/h6,8-9H,4-5H2,1-3H3
InChIKeyPSCOATRSLSYCQT-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.93
Rot. Bonds3

About ethyl 2-(2,3-dimethyltetrazolidin-5-yl)acetate

ethyl 2-(2,3-dimethyltetrazolidin-5-yl)acetate (PubChem CID 163879757) has the molecular formula C7H16N4O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is ethyl 2-(2,3-dimethyltetrazolidin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3-dimethyltetrazolidin-5-yl)acetate
PubChem CID163879757
Molecular FormulaC7H16N4O2
Molecular Weight188.23 g/mol
Exact Mass188.13
IUPAC Nameethyl 2-(2,3-dimethyltetrazolidin-5-yl)acetate
SMILESCCOC(=O)CC1NN(C)N(C)N1
InChIInChI=1S/C7H16N4O2/c1-4-13-7(12)5-6-8-10(2)11(3)9-6/h6,8-9H,4-5H2,1-3H3
InChIKeyPSCOATRSLSYCQT-UHFFFAOYSA-N
XLogP-0.93
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dimethyltetrazolidin-5-yl)acetate?
The IUPAC name of ethyl 2-(2,3-dimethyltetrazolidin-5-yl)acetate (CID 163879757) is ethyl 2-(2,3-dimethyltetrazolidin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(2,3-dimethyltetrazolidin-5-yl)acetate?
The canonical SMILES for ethyl 2-(2,3-dimethyltetrazolidin-5-yl)acetate is CCOC(=O)CC1NN(C)N(C)N1.
What is the InChIKey of ethyl 2-(2,3-dimethyltetrazolidin-5-yl)acetate?
The InChIKey is PSCOATRSLSYCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2/c1-4-13-7(12)5-6-8-10(2)11(3)9-6/h6,8-9H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(2,3-dimethyltetrazolidin-5-yl)acetate?
ethyl 2-(2,3-dimethyltetrazolidin-5-yl)acetate has a molecular weight of 188.23 g/mol, XLogP of -0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dimethyltetrazolidin-5-yl)acetate is sourced from PubChem (CID 163879757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).