3-[5-(6-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid

C12H18N4O2 — CID 115429095

IUPAC3-[5-(6-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cn1nnnc1C1C2CCCC21)C(=O)O
InChIInChI=1S/C12H18N4O2/c1-12(2,11(17)18)6-16-10(13-14-15-16)9-7-4-3-5-8(7)9/h7-9H,3-6H2,1-2H3,(H,17,18)
InChIKeyMNBGBEUBTFMTLW-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.30
Rot. Bonds4

About 3-[5-(6-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid

3-[5-(6-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid (PubChem CID 115429095) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[5-(6-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[5-(6-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
PubChem CID115429095
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-[5-(6-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cn1nnnc1C1C2CCCC21)C(=O)O
InChIInChI=1S/C12H18N4O2/c1-12(2,11(17)18)6-16-10(13-14-15-16)9-7-4-3-5-8(7)9/h7-9H,3-6H2,1-2H3,(H,17,18)
InChIKeyMNBGBEUBTFMTLW-UHFFFAOYSA-N
XLogP1.30
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(6-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[5-(6-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid (CID 115429095) is 3-[5-(6-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[5-(6-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[5-(6-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid is CC(C)(Cn1nnnc1C1C2CCCC21)C(=O)O.
What is the InChIKey of 3-[5-(6-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid?
The InChIKey is MNBGBEUBTFMTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-12(2,11(17)18)6-16-10(13-14-15-16)9-7-4-3-5-8(7)9/h7-9H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 3-[5-(6-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid?
3-[5-(6-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(6-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115429095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).