3-methoxy-4-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]butanoic acid

C11H18N4O4 — CID 103160509

IUPAC3-methoxy-4-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]butanoic acid
SMILESCOC(CC(=O)O)Cn1nnnc1CC1CCCO1
InChIInChI=1S/C11H18N4O4/c1-18-9(6-11(16)17)7-15-10(12-13-14-15)5-8-3-2-4-19-8/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyJUBSVEHRUVKIOZ-UHFFFAOYSA-N
MW270.29 g/mol
LogP-0.12
Rot. Bonds7

About 3-methoxy-4-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]butanoic acid

3-methoxy-4-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]butanoic acid (PubChem CID 103160509) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-methoxy-4-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]butanoic acid
PubChem CID103160509
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name3-methoxy-4-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]butanoic acid
SMILESCOC(CC(=O)O)Cn1nnnc1CC1CCCO1
InChIInChI=1S/C11H18N4O4/c1-18-9(6-11(16)17)7-15-10(12-13-14-15)5-8-3-2-4-19-8/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyJUBSVEHRUVKIOZ-UHFFFAOYSA-N
XLogP-0.12
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-4-[5-(methoxymethyl)tetrazol-1-yl]butanoic acid
CID 103160380
2-methyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
CID 66046978
4-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]butan-1-amine
CID 106387160
4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160538
3-cyclopropyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
CID 82002630
3-methoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid
CID 103160471
4-[5-(3,5-dichlorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160413
3-methyl-4-[5-(oxolan-2-yl)tetrazol-1-yl]butanoic acid
CID 81070841
4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160591
4-[5-(4,5-dimethylthiophen-2-yl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160426
3-methoxy-4-[5-(2-methylfuran-3-yl)tetrazol-1-yl]butanoic acid
CID 103160595
4-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160559

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 3-methoxy-4-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]butanoic acid (CID 103160509) is 3-methoxy-4-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 3-methoxy-4-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]butanoic acid is COC(CC(=O)O)Cn1nnnc1CC1CCCO1.
What is the InChIKey of 3-methoxy-4-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]butanoic acid?
The InChIKey is JUBSVEHRUVKIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-18-9(6-11(16)17)7-15-10(12-13-14-15)5-8-3-2-4-19-8/h8-9H,2-7H2,1H3,(H,16,17).
What are the key properties of 3-methoxy-4-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]butanoic acid?
3-methoxy-4-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]butanoic acid has a molecular weight of 270.29 g/mol, XLogP of -0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 103160509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).