4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid

C10H12N4O4 — CID 103160591

IUPAC4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid
SMILESCOC(CC(=O)O)Cn1nnnc1-c1ccoc1
InChIInChI=1S/C10H12N4O4/c1-17-8(4-9(15)16)5-14-10(11-12-13-14)7-2-3-18-6-7/h2-3,6,8H,4-5H2,1H3,(H,15,16)
InChIKeyVTPNEHMYFBQJTL-UHFFFAOYSA-N
MW252.23 g/mol
LogP0.42
Rot. Bonds6

About 4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid

4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid (PubChem CID 103160591) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is 4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid
PubChem CID103160591
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid
SMILESCOC(CC(=O)O)Cn1nnnc1-c1ccoc1
InChIInChI=1S/C10H12N4O4/c1-17-8(4-9(15)16)5-14-10(11-12-13-14)7-2-3-18-6-7/h2-3,6,8H,4-5H2,1H3,(H,15,16)
InChIKeyVTPNEHMYFBQJTL-UHFFFAOYSA-N
XLogP0.42
TPSA103.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethoxy-4-[5-(furan-3-yl)tetrazol-1-yl]butanoic acid
CID 114227252
4-[5-(4-ethylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160348
3-methoxy-4-[5-(2-methylfuran-3-yl)tetrazol-1-yl]butanoic acid
CID 103160595
3-methoxy-4-[5-(4-methylsulfanylphenyl)tetrazol-1-yl]butanoic acid
CID 103160384
4-[5-(3,5-dichlorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160413
4-[5-(3-chloro-4-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160390
2-[[5-(furan-3-yl)tetrazol-1-yl]methyl]-4,4-dimethylpentanoic acid
CID 107475162
4-[5-(5-bromo-2-methylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160599
3-methoxy-4-[5-(2-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid
CID 103160464
4-[5-(2-chloro-3-methylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160482
4-[5-(4,5-dimethylthiophen-2-yl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160426
4-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160437

Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid?
The IUPAC name of 4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid (CID 103160591) is 4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid?
The canonical SMILES for 4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid is COC(CC(=O)O)Cn1nnnc1-c1ccoc1.
What is the InChIKey of 4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid?
The InChIKey is VTPNEHMYFBQJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4/c1-17-8(4-9(15)16)5-14-10(11-12-13-14)7-2-3-18-6-7/h2-3,6,8H,4-5H2,1H3,(H,15,16).
What are the key properties of 4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid?
4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid has a molecular weight of 252.23 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid is sourced from PubChem (CID 103160591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).