ethyl 2-[2-(2-ethoxy-2-oxoethyl)tetrazol-5-yl]acetate

C9H14N4O4 — CID 575165

IUPACethyl 2-[2-(2-ethoxy-2-oxoethyl)tetrazol-5-yl]acetate
SMILESCCOC(=O)Cc1nnn(CC(=O)OCC)n1
InChIInChI=1S/C9H14N4O4/c1-3-16-8(14)5-7-10-12-13(11-7)6-9(15)17-4-2/h3-6H2,1-2H3
InChIKeyGRUKPNGAVYIEAX-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.66
Rot. Bonds6

About ethyl 2-[2-(2-ethoxy-2-oxoethyl)tetrazol-5-yl]acetate

ethyl 2-[2-(2-ethoxy-2-oxoethyl)tetrazol-5-yl]acetate (PubChem CID 575165) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is ethyl 2-[2-(2-ethoxy-2-oxoethyl)tetrazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-ethoxy-2-oxoethyl)tetrazol-5-yl]acetate
PubChem CID575165
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Nameethyl 2-[2-(2-ethoxy-2-oxoethyl)tetrazol-5-yl]acetate
SMILESCCOC(=O)Cc1nnn(CC(=O)OCC)n1
InChIInChI=1S/C9H14N4O4/c1-3-16-8(14)5-7-10-12-13(11-7)6-9(15)17-4-2/h3-6H2,1-2H3
InChIKeyGRUKPNGAVYIEAX-UHFFFAOYSA-N
XLogP-0.66
TPSA96.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(3S)-3-[[2-[5-(2-ethoxy-2-oxoethyl)tetrazol-2-yl]acetyl]amino]pyrrolidine-1-carboxylic acid
CID 126666326
ethyl 2-[5-(2-aminopyrimidin-5-yl)tetrazol-2-yl]acetate
CID 58042951
ethyl 2-[2-[2-oxo-3-[[(2S,5R)-7-oxo-6-sulfooxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]propyl]tetrazol-5-yl]acetate
CID 147334733
ethyl 2-(4,5-diphenyltriazol-2-yl)acetate
CID 59363121
ethyl 2-[5-[3-(bromomethyl)phenyl]tetrazol-2-yl]acetate
CID 139661345
ethyl 2-[5-(5-ethynyl-3-pyridinyl)tetrazol-2-yl]acetate
CID 58318565
methyl 2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]acetate
CID 51103418
ethyl 2-[(2-methyltetrazol-5-yl)methylamino]acetate
CID 107042177
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114
methyl 2-(5-formyltetrazol-2-yl)acetate
CID 86053855
ethyl 2-(tetrazol-1-yl)acetate
CID 14415264
methyl 2-[2-[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]tetrazol-5-yl]acetate
CID 94799142

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-ethoxy-2-oxoethyl)tetrazol-5-yl]acetate?
The IUPAC name of ethyl 2-[2-(2-ethoxy-2-oxoethyl)tetrazol-5-yl]acetate (CID 575165) is ethyl 2-[2-(2-ethoxy-2-oxoethyl)tetrazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-ethoxy-2-oxoethyl)tetrazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2-ethoxy-2-oxoethyl)tetrazol-5-yl]acetate is CCOC(=O)Cc1nnn(CC(=O)OCC)n1.
What is the InChIKey of ethyl 2-[2-(2-ethoxy-2-oxoethyl)tetrazol-5-yl]acetate?
The InChIKey is GRUKPNGAVYIEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-3-16-8(14)5-7-10-12-13(11-7)6-9(15)17-4-2/h3-6H2,1-2H3.
What are the key properties of ethyl 2-[2-(2-ethoxy-2-oxoethyl)tetrazol-5-yl]acetate?
ethyl 2-[2-(2-ethoxy-2-oxoethyl)tetrazol-5-yl]acetate has a molecular weight of 242.23 g/mol, XLogP of -0.66, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-ethoxy-2-oxoethyl)tetrazol-5-yl]acetate is sourced from PubChem (CID 575165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).