3-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]pentanoic acid

C12H16N4O3 — CID 81072067

IUPAC3-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]pentanoic acid
SMILESCCC(CC(=O)O)Cn1nnnc1-c1ccoc1C
InChIInChI=1S/C12H16N4O3/c1-3-9(6-11(17)18)7-16-12(13-14-15-16)10-4-5-19-8(10)2/h4-5,9H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyDVVVOJRHCBZYRO-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.74
Rot. Bonds6

About 3-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]pentanoic acid

3-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]pentanoic acid (PubChem CID 81072067) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]pentanoic acid
PubChem CID81072067
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name3-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]pentanoic acid
SMILESCCC(CC(=O)O)Cn1nnnc1-c1ccoc1C
InChIInChI=1S/C12H16N4O3/c1-3-9(6-11(17)18)7-16-12(13-14-15-16)10-4-5-19-8(10)2/h4-5,9H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyDVVVOJRHCBZYRO-UHFFFAOYSA-N
XLogP1.74
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]pentanoic acid with MolForge

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Related Compounds

3-methoxy-4-[5-(2-methylfuran-3-yl)tetrazol-1-yl]butanoic acid
CID 103160595
3-[[5-(5-bromofuran-2-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 81071402
3-[[5-(5-chlorofuran-2-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 106690589
2-ethyl-2-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]butanoic acid
CID 115431399
3-[[5-(3,5-difluorophenyl)tetrazol-1-yl]methyl]pentanoic acid
CID 81068091
3-[[5-(3-chlorothiophen-2-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 81070225
3-[[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 81068093
1-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 113312649
3-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid
CID 81068876
3-ethoxy-4-[5-(furan-3-yl)tetrazol-1-yl]butanoic acid
CID 114227252
2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 78909549
4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160591

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]pentanoic acid?
The IUPAC name of 3-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]pentanoic acid (CID 81072067) is 3-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]pentanoic acid.
What is the SMILES notation for 3-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]pentanoic acid?
The canonical SMILES for 3-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]pentanoic acid is CCC(CC(=O)O)Cn1nnnc1-c1ccoc1C.
What is the InChIKey of 3-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]pentanoic acid?
The InChIKey is DVVVOJRHCBZYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-3-9(6-11(17)18)7-16-12(13-14-15-16)10-4-5-19-8(10)2/h4-5,9H,3,6-7H2,1-2H3,(H,17,18).
What are the key properties of 3-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]pentanoic acid?
3-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]pentanoic acid has a molecular weight of 264.28 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]pentanoic acid is sourced from PubChem (CID 81072067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).