[(2R)-3,3-dimethylbutan-2-yl] 2-(2H-tetrazol-5-yl)acetate

C9H16N4O2 — CID 159354583

IUPAC[(2R)-3,3-dimethylbutan-2-yl] 2-(2H-tetrazol-5-yl)acetate
SMILESC[C@@H](OC(=O)Cc1nn[nH]n1)C(C)(C)C
InChIInChI=1S/C9H16N4O2/c1-6(9(2,3)4)15-8(14)5-7-10-12-13-11-7/h6H,5H2,1-4H3,(H,10,11,12,13)/t6-/m1/s1
InChIKeyMEMPVUMUTDPEGN-ZCFIWIBFSA-N
MW212.25 g/mol
LogP0.72
Rot. Bonds3

About [(2R)-3,3-dimethylbutan-2-yl] 2-(2H-tetrazol-5-yl)acetate

[(2R)-3,3-dimethylbutan-2-yl] 2-(2H-tetrazol-5-yl)acetate (PubChem CID 159354583) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is [(2R)-3,3-dimethylbutan-2-yl] 2-(2H-tetrazol-5-yl)acetate.

Molecular Properties

Compound Name[(2R)-3,3-dimethylbutan-2-yl] 2-(2H-tetrazol-5-yl)acetate
PubChem CID159354583
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name[(2R)-3,3-dimethylbutan-2-yl] 2-(2H-tetrazol-5-yl)acetate
SMILESC[C@@H](OC(=O)Cc1nn[nH]n1)C(C)(C)C
InChIInChI=1S/C9H16N4O2/c1-6(9(2,3)4)15-8(14)5-7-10-12-13-11-7/h6H,5H2,1-4H3,(H,10,11,12,13)/t6-/m1/s1
InChIKeyMEMPVUMUTDPEGN-ZCFIWIBFSA-N
XLogP0.72
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-3,3-dimethylbutan-2-yl] 2-(2H-tetrazol-5-yl)acetate?
The IUPAC name of [(2R)-3,3-dimethylbutan-2-yl] 2-(2H-tetrazol-5-yl)acetate (CID 159354583) is [(2R)-3,3-dimethylbutan-2-yl] 2-(2H-tetrazol-5-yl)acetate.
What is the SMILES notation for [(2R)-3,3-dimethylbutan-2-yl] 2-(2H-tetrazol-5-yl)acetate?
The canonical SMILES for [(2R)-3,3-dimethylbutan-2-yl] 2-(2H-tetrazol-5-yl)acetate is C[C@@H](OC(=O)Cc1nn[nH]n1)C(C)(C)C.
What is the InChIKey of [(2R)-3,3-dimethylbutan-2-yl] 2-(2H-tetrazol-5-yl)acetate?
The InChIKey is MEMPVUMUTDPEGN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6(9(2,3)4)15-8(14)5-7-10-12-13-11-7/h6H,5H2,1-4H3,(H,10,11,12,13)/t6-/m1/s1.
What are the key properties of [(2R)-3,3-dimethylbutan-2-yl] 2-(2H-tetrazol-5-yl)acetate?
[(2R)-3,3-dimethylbutan-2-yl] 2-(2H-tetrazol-5-yl)acetate has a molecular weight of 212.25 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3,3-dimethylbutan-2-yl] 2-(2H-tetrazol-5-yl)acetate is sourced from PubChem (CID 159354583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).