2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid

C8H14N4O2 — CID 66046752

IUPAC2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid
SMILESCCCc1nnnn1CC(C)C(=O)O
InChIInChI=1S/C8H14N4O2/c1-3-4-7-9-10-11-12(7)5-6(2)8(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyQPNARVISWAUJLQ-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.35
Rot. Bonds5

About 2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid

2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid (PubChem CID 66046752) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid
PubChem CID66046752
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid
SMILESCCCc1nnnn1CC(C)C(=O)O
InChIInChI=1S/C8H14N4O2/c1-3-4-7-9-10-11-12(7)5-6(2)8(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyQPNARVISWAUJLQ-UHFFFAOYSA-N
XLogP0.35
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-(5-propyltetrazol-1-yl)propanoic 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

2-methyl-3-[5-(propan-2-yloxymethyl)tetrazol-1-yl]propanoic acid
CID 112605856
2-methyl-3-[5-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-1-yl]propanoic acid
CID 103213487
3-(5-butan-2-yltetrazol-1-yl)-2-methylpropanoic acid
CID 66045315
2-methyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
CID 66046978
2-[(5-hexyltetrazol-1-yl)methyl]-4-methylpentanoic acid
CID 114754247
3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 103028686
3-(5-cyclooctyltetrazol-1-yl)-2-methylpropanoic acid
CID 66047218
1-butyl-5-propyltetrazole
CID 69032145
3-[5-(4-chlorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66047456
4-[5-[2-(dimethylamino)ethyl]tetrazol-1-yl]-3-methylbutanoic acid
CID 81071397
3-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66046518
3-[5-(3,4-dimethylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66047221

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid (CID 66046752) is 2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid is CCCc1nnnn1CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid?
The InChIKey is QPNARVISWAUJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-4-7-9-10-11-12(7)5-6(2)8(13)14/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid?
2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid has a molecular weight of 198.23 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid is sourced from PubChem (CID 66046752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).