3-methyl-4-[5-(2-methylbutyl)tetrazol-1-yl]butanoic acid

C11H20N4O2 — CID 114877455

IUPAC3-methyl-4-[5-(2-methylbutyl)tetrazol-1-yl]butanoic acid
SMILESCCC(C)Cc1nnnn1CC(C)CC(=O)O
InChIInChI=1S/C11H20N4O2/c1-4-8(2)5-10-12-13-14-15(10)7-9(3)6-11(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyZQQRGNGQTIICMZ-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.37
Rot. Bonds7

About 3-methyl-4-[5-(2-methylbutyl)tetrazol-1-yl]butanoic acid

3-methyl-4-[5-(2-methylbutyl)tetrazol-1-yl]butanoic acid (PubChem CID 114877455) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-methyl-4-[5-(2-methylbutyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[5-(2-methylbutyl)tetrazol-1-yl]butanoic acid
PubChem CID114877455
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-methyl-4-[5-(2-methylbutyl)tetrazol-1-yl]butanoic acid
SMILESCCC(C)Cc1nnnn1CC(C)CC(=O)O
InChIInChI=1S/C11H20N4O2/c1-4-8(2)5-10-12-13-14-15(10)7-9(3)6-11(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyZQQRGNGQTIICMZ-UHFFFAOYSA-N
XLogP1.37
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-[5-(2,2,2-trifluoroethyl)tetrazol-1-yl]butanoic acid
CID 81072066
4-[5-(methoxymethyl)tetrazol-1-yl]-3-methylbutanoic acid
CID 81071951
3-methyl-4-(5-pentan-3-yltetrazol-1-yl)butanoic acid
CID 81071652
3-[[5-(2,4,4-trimethylpentyl)tetrazol-1-yl]methyl]pentanoic acid
CID 81067751
4-[5-[2-(dimethylamino)ethyl]tetrazol-1-yl]-3-methylbutanoic acid
CID 81071397
3-methyl-4-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]butanoic acid
CID 103213507
3-methyl-4-(5-pentan-2-yltetrazol-1-yl)butanoic acid
CID 81070219
3-methyl-4-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
CID 81067843
4-[5-[(3,4-dimethylphenyl)methyl]tetrazol-1-yl]-3-methylbutanoic acid
CID 81068864
4-[5-[(3,4-difluorophenyl)methyl]tetrazol-1-yl]-3-methylbutanoic acid
CID 81067960
4-(5-heptan-3-yltetrazol-1-yl)-3-methylbutanoic acid
CID 81070338
4-[5-[(2-chloro-6-fluorophenyl)methyl]tetrazol-1-yl]-3-methylbutanoic acid
CID 81068088

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[5-(2-methylbutyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 3-methyl-4-[5-(2-methylbutyl)tetrazol-1-yl]butanoic acid (CID 114877455) is 3-methyl-4-[5-(2-methylbutyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 3-methyl-4-[5-(2-methylbutyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 3-methyl-4-[5-(2-methylbutyl)tetrazol-1-yl]butanoic acid is CCC(C)Cc1nnnn1CC(C)CC(=O)O.
What is the InChIKey of 3-methyl-4-[5-(2-methylbutyl)tetrazol-1-yl]butanoic acid?
The InChIKey is ZQQRGNGQTIICMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-8(2)5-10-12-13-14-15(10)7-9(3)6-11(16)17/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 3-methyl-4-[5-(2-methylbutyl)tetrazol-1-yl]butanoic acid?
3-methyl-4-[5-(2-methylbutyl)tetrazol-1-yl]butanoic acid has a molecular weight of 240.31 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[5-(2-methylbutyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 114877455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).