1-[(5-heptan-3-yltetrazol-1-yl)methyl]cyclobutane-1-carboxylic acid

C14H24N4O2 — CID 115447217

IUPAC1-[(5-heptan-3-yltetrazol-1-yl)methyl]cyclobutane-1-carboxylic acid
SMILESCCCCC(CC)c1nnnn1CC1(C(=O)O)CCC1
InChIInChI=1S/C14H24N4O2/c1-3-5-7-11(4-2)12-15-16-17-18(12)10-14(13(19)20)8-6-9-14/h11H,3-10H2,1-2H3,(H,19,20)
InChIKeyHEHSPEIZPMDQNP-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.61
Rot. Bonds8

About 1-[(5-heptan-3-yltetrazol-1-yl)methyl]cyclobutane-1-carboxylic acid

1-[(5-heptan-3-yltetrazol-1-yl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 115447217) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[(5-heptan-3-yltetrazol-1-yl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-heptan-3-yltetrazol-1-yl)methyl]cyclobutane-1-carboxylic acid
PubChem CID115447217
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-[(5-heptan-3-yltetrazol-1-yl)methyl]cyclobutane-1-carboxylic acid
SMILESCCCCC(CC)c1nnnn1CC1(C(=O)O)CCC1
InChIInChI=1S/C14H24N4O2/c1-3-5-7-11(4-2)12-15-16-17-18(12)10-14(13(19)20)8-6-9-14/h11H,3-10H2,1-2H3,(H,19,20)
InChIKeyHEHSPEIZPMDQNP-UHFFFAOYSA-N
XLogP2.61
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(5-heptan-3-yltetrazol-1-yl)methyl]cyclobutane-1-carboxylic 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

4-[(5-pentan-2-yltetrazol-1-yl)methyl]oxane-4-carboxylic acid
CID 115440753
4-(5-heptan-3-yltetrazol-1-yl)-3-methylbutanoic acid
CID 81070338
2-(5-heptan-3-yltetrazol-1-yl)-2-methylpropanoic acid
CID 66041792
1-[[5-(1-methylsulfonylethyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 104522842
2-(5-heptan-3-yltetrazol-1-yl)-2-methylbutanoic acid
CID 79791413
1-[[5-(3-methylbutyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437134
1-[[5-(methoxymethyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
CID 115434603
1-[[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447213
1-[(5-cyclopropyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 115437185
1-[[5-(2,2-dimethylcyclopropyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 107003608
1-[[5-[(dimethylamino)methyl]tetrazol-1-yl]methyl]cycloheptane-1-carboxylic acid
CID 115444923
1-[[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447137

Frequently Asked Questions

What is the IUPAC name of 1-[(5-heptan-3-yltetrazol-1-yl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(5-heptan-3-yltetrazol-1-yl)methyl]cyclobutane-1-carboxylic acid (CID 115447217) is 1-[(5-heptan-3-yltetrazol-1-yl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-heptan-3-yltetrazol-1-yl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(5-heptan-3-yltetrazol-1-yl)methyl]cyclobutane-1-carboxylic acid is CCCCC(CC)c1nnnn1CC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(5-heptan-3-yltetrazol-1-yl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is HEHSPEIZPMDQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-5-7-11(4-2)12-15-16-17-18(12)10-14(13(19)20)8-6-9-14/h11H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 1-[(5-heptan-3-yltetrazol-1-yl)methyl]cyclobutane-1-carboxylic acid?
1-[(5-heptan-3-yltetrazol-1-yl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-heptan-3-yltetrazol-1-yl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115447217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).