3-methyl-4-(5-pentan-2-yltetrazol-1-yl)butanoic acid

C11H20N4O2 — CID 81070219

IUPAC3-methyl-4-(5-pentan-2-yltetrazol-1-yl)butanoic acid
SMILESCCCC(C)c1nnnn1CC(C)CC(=O)O
InChIInChI=1S/C11H20N4O2/c1-4-5-9(3)11-12-13-14-15(11)7-8(2)6-10(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyYESZCOYMPLHDMT-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.69
Rot. Bonds7

About 3-methyl-4-(5-pentan-2-yltetrazol-1-yl)butanoic acid

3-methyl-4-(5-pentan-2-yltetrazol-1-yl)butanoic acid (PubChem CID 81070219) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-methyl-4-(5-pentan-2-yltetrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-4-(5-pentan-2-yltetrazol-1-yl)butanoic acid
PubChem CID81070219
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-methyl-4-(5-pentan-2-yltetrazol-1-yl)butanoic acid
SMILESCCCC(C)c1nnnn1CC(C)CC(=O)O
InChIInChI=1S/C11H20N4O2/c1-4-5-9(3)11-12-13-14-15(11)7-8(2)6-10(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyYESZCOYMPLHDMT-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-4-(5-pentan-2-yltetrazol-1-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-(5-pentan-3-yltetrazol-1-yl)butanoic acid
CID 81071652
4-(5-heptan-3-yltetrazol-1-yl)-3-methylbutanoic acid
CID 81070338
2-ethyl-2-[(5-pentan-2-yltetrazol-1-yl)methyl]butanoic acid
CID 115431475
3-methyl-4-[5-(2-methylbutyl)tetrazol-1-yl]butanoic acid
CID 114877455
3-(5-butan-2-yltetrazol-1-yl)-2-methylpropanoic acid
CID 66045315
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
4-[(5-pentan-2-yltetrazol-1-yl)methyl]oxane-4-carboxylic acid
CID 115440753
2-[5-[(2S)-4-methylsulfanylbutan-2-yl]tetrazol-1-yl]acetic acid
CID 134318035
4-[5-[2-(dimethylamino)ethyl]tetrazol-1-yl]-3-methylbutanoic acid
CID 81071397
3-methyl-4-[5-(3-methylphenyl)tetrazol-1-yl]butanoic acid
CID 81071820
3-methyl-4-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]butanoic acid
CID 103213507

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(5-pentan-2-yltetrazol-1-yl)butanoic acid?
The IUPAC name of 3-methyl-4-(5-pentan-2-yltetrazol-1-yl)butanoic acid (CID 81070219) is 3-methyl-4-(5-pentan-2-yltetrazol-1-yl)butanoic acid.
What is the SMILES notation for 3-methyl-4-(5-pentan-2-yltetrazol-1-yl)butanoic acid?
The canonical SMILES for 3-methyl-4-(5-pentan-2-yltetrazol-1-yl)butanoic acid is CCCC(C)c1nnnn1CC(C)CC(=O)O.
What is the InChIKey of 3-methyl-4-(5-pentan-2-yltetrazol-1-yl)butanoic acid?
The InChIKey is YESZCOYMPLHDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-5-9(3)11-12-13-14-15(11)7-8(2)6-10(16)17/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 3-methyl-4-(5-pentan-2-yltetrazol-1-yl)butanoic acid?
3-methyl-4-(5-pentan-2-yltetrazol-1-yl)butanoic acid has a molecular weight of 240.31 g/mol, XLogP of 1.69, 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-pentan-2-yltetrazol-1-yl)butanoic acid is sourced from PubChem (CID 81070219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).