3-[4-(5-propan-2-yltetrazol-1-yl)phenyl]butanoic acid

C14H18N4O2 — CID 104503110

IUPAC3-[4-(5-propan-2-yltetrazol-1-yl)phenyl]butanoic acid
SMILESCC(C)c1nnnn1-c1ccc(C(C)CC(=O)O)cc1
InChIInChI=1S/C14H18N4O2/c1-9(2)14-15-16-17-18(14)12-6-4-11(5-7-12)10(3)8-13(19)20/h4-7,9-10H,8H2,1-3H3,(H,19,20)
InChIKeyMTCKJAMLFMYHLO-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.36
Rot. Bonds5

About 3-[4-(5-propan-2-yltetrazol-1-yl)phenyl]butanoic acid

3-[4-(5-propan-2-yltetrazol-1-yl)phenyl]butanoic acid (PubChem CID 104503110) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[4-(5-propan-2-yltetrazol-1-yl)phenyl]butanoic acid.

Molecular Properties

Compound Name3-[4-(5-propan-2-yltetrazol-1-yl)phenyl]butanoic acid
PubChem CID104503110
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-[4-(5-propan-2-yltetrazol-1-yl)phenyl]butanoic acid
SMILESCC(C)c1nnnn1-c1ccc(C(C)CC(=O)O)cc1
InChIInChI=1S/C14H18N4O2/c1-9(2)14-15-16-17-18(14)12-6-4-11(5-7-12)10(3)8-13(19)20/h4-7,9-10H,8H2,1-3H3,(H,19,20)
InChIKeyMTCKJAMLFMYHLO-UHFFFAOYSA-N
XLogP2.36
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-(5-propan-2-yltetrazol-1-yl)phenyl]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-[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenyl]butanoic acid
CID 104501883
2,6-difluoro-4-(5-propan-2-yltetrazol-1-yl)benzoic acid
CID 114217287
(3S)-3-phenyl-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]pentanamide
CID 95628473
(1-phenyltetrazol-5-yl)methyl 3-(4-fluorophenyl)butanoate
CID 60541543
(2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide
CID 119328864
N-(3-methylbutan-2-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 18776157
3-[4-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)phenyl]butanoic acid
CID 104503104
3-(5-propan-2-yltetrazol-1-yl)-5-(4-sulfanylphenyl)benzoic acid
CID 157474452
3-[4-(propan-2-ylamino)phenyl]butanoic acid
CID 104503331
3-(1-phenyltetrazol-5-yl)pentan-2-ol
CID 63201375
2-chloro-5-(5-propan-2-yltetrazol-1-yl)aniline
CID 62075182
5-(1-methylsulfonylethyl)-1-phenyltetrazole
CID 47226147

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-propan-2-yltetrazol-1-yl)phenyl]butanoic acid?
The IUPAC name of 3-[4-(5-propan-2-yltetrazol-1-yl)phenyl]butanoic acid (CID 104503110) is 3-[4-(5-propan-2-yltetrazol-1-yl)phenyl]butanoic acid.
What is the SMILES notation for 3-[4-(5-propan-2-yltetrazol-1-yl)phenyl]butanoic acid?
The canonical SMILES for 3-[4-(5-propan-2-yltetrazol-1-yl)phenyl]butanoic acid is CC(C)c1nnnn1-c1ccc(C(C)CC(=O)O)cc1.
What is the InChIKey of 3-[4-(5-propan-2-yltetrazol-1-yl)phenyl]butanoic acid?
The InChIKey is MTCKJAMLFMYHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9(2)14-15-16-17-18(14)12-6-4-11(5-7-12)10(3)8-13(19)20/h4-7,9-10H,8H2,1-3H3,(H,19,20).
What are the key properties of 3-[4-(5-propan-2-yltetrazol-1-yl)phenyl]butanoic acid?
3-[4-(5-propan-2-yltetrazol-1-yl)phenyl]butanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-propan-2-yltetrazol-1-yl)phenyl]butanoic acid is sourced from PubChem (CID 104503110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).