3-methoxy-4-[5-(4-methylcyclohexyl)tetrazol-1-yl]butanoic acid

C13H22N4O3 — CID 103160506

IUPAC3-methoxy-4-[5-(4-methylcyclohexyl)tetrazol-1-yl]butanoic acid
SMILESCOC(CC(=O)O)Cn1nnnc1C1CCC(C)CC1
InChIInChI=1S/C13H22N4O3/c1-9-3-5-10(6-4-9)13-14-15-16-17(13)8-11(20-2)7-12(18)19/h9-11H,3-8H2,1-2H3,(H,18,19)
InChIKeyRXWQHZLQIXSCDU-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.46
Rot. Bonds6

About 3-methoxy-4-[5-(4-methylcyclohexyl)tetrazol-1-yl]butanoic acid

3-methoxy-4-[5-(4-methylcyclohexyl)tetrazol-1-yl]butanoic acid (PubChem CID 103160506) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-methoxy-4-[5-(4-methylcyclohexyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[5-(4-methylcyclohexyl)tetrazol-1-yl]butanoic acid
PubChem CID103160506
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name3-methoxy-4-[5-(4-methylcyclohexyl)tetrazol-1-yl]butanoic acid
SMILESCOC(CC(=O)O)Cn1nnnc1C1CCC(C)CC1
InChIInChI=1S/C13H22N4O3/c1-9-3-5-10(6-4-9)13-14-15-16-17(13)8-11(20-2)7-12(18)19/h9-11H,3-8H2,1-2H3,(H,18,19)
InChIKeyRXWQHZLQIXSCDU-UHFFFAOYSA-N
XLogP1.46
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[5-(4-methylcyclohexyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 3-methoxy-4-[5-(4-methylcyclohexyl)tetrazol-1-yl]butanoic acid (CID 103160506) is 3-methoxy-4-[5-(4-methylcyclohexyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[5-(4-methylcyclohexyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 3-methoxy-4-[5-(4-methylcyclohexyl)tetrazol-1-yl]butanoic acid is COC(CC(=O)O)Cn1nnnc1C1CCC(C)CC1.
What is the InChIKey of 3-methoxy-4-[5-(4-methylcyclohexyl)tetrazol-1-yl]butanoic acid?
The InChIKey is RXWQHZLQIXSCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-9-3-5-10(6-4-9)13-14-15-16-17(13)8-11(20-2)7-12(18)19/h9-11H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 3-methoxy-4-[5-(4-methylcyclohexyl)tetrazol-1-yl]butanoic acid?
3-methoxy-4-[5-(4-methylcyclohexyl)tetrazol-1-yl]butanoic acid has a molecular weight of 282.34 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[5-(4-methylcyclohexyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 103160506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).