methyl 3-cyclopentyl-2-[3-fluoro-4-(5-methyltetrazol-5-yl)phenyl]propanoate

C17H21FN4O2 — CID 67484010

IUPACmethyl 3-cyclopentyl-2-[3-fluoro-4-(5-methyltetrazol-5-yl)phenyl]propanoate
SMILESCOC(=O)C(CC1CCCC1)c1ccc(C2(C)N=NN=N2)c(F)c1
InChIInChI=1S/C17H21FN4O2/c1-17(19-21-22-20-17)14-8-7-12(10-15(14)18)13(16(23)24-2)9-11-5-3-4-6-11/h7-8,10-11,13H,3-6,9H2,1-2H3
InChIKeyUXCLKUGLLXWDRH-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.67
Rot. Bonds5

About methyl 3-cyclopentyl-2-[3-fluoro-4-(5-methyltetrazol-5-yl)phenyl]propanoate

methyl 3-cyclopentyl-2-[3-fluoro-4-(5-methyltetrazol-5-yl)phenyl]propanoate (PubChem CID 67484010) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is methyl 3-cyclopentyl-2-[3-fluoro-4-(5-methyltetrazol-5-yl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-cyclopentyl-2-[3-fluoro-4-(5-methyltetrazol-5-yl)phenyl]propanoate
PubChem CID67484010
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Namemethyl 3-cyclopentyl-2-[3-fluoro-4-(5-methyltetrazol-5-yl)phenyl]propanoate
SMILESCOC(=O)C(CC1CCCC1)c1ccc(C2(C)N=NN=N2)c(F)c1
InChIInChI=1S/C17H21FN4O2/c1-17(19-21-22-20-17)14-8-7-12(10-15(14)18)13(16(23)24-2)9-11-5-3-4-6-11/h7-8,10-11,13H,3-6,9H2,1-2H3
InChIKeyUXCLKUGLLXWDRH-UHFFFAOYSA-N
XLogP4.67
TPSA75.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-cyclopentyl-2-[3-fluoro-4-(5-methyltetrazol-5-yl)phenyl]propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopentyl-2-[3-fluoro-4-(5-methyltetrazol-5-yl)phenyl]propanoate?
The IUPAC name of methyl 3-cyclopentyl-2-[3-fluoro-4-(5-methyltetrazol-5-yl)phenyl]propanoate (CID 67484010) is methyl 3-cyclopentyl-2-[3-fluoro-4-(5-methyltetrazol-5-yl)phenyl]propanoate.
What is the SMILES notation for methyl 3-cyclopentyl-2-[3-fluoro-4-(5-methyltetrazol-5-yl)phenyl]propanoate?
The canonical SMILES for methyl 3-cyclopentyl-2-[3-fluoro-4-(5-methyltetrazol-5-yl)phenyl]propanoate is COC(=O)C(CC1CCCC1)c1ccc(C2(C)N=NN=N2)c(F)c1.
What is the InChIKey of methyl 3-cyclopentyl-2-[3-fluoro-4-(5-methyltetrazol-5-yl)phenyl]propanoate?
The InChIKey is UXCLKUGLLXWDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-17(19-21-22-20-17)14-8-7-12(10-15(14)18)13(16(23)24-2)9-11-5-3-4-6-11/h7-8,10-11,13H,3-6,9H2,1-2H3.
What are the key properties of methyl 3-cyclopentyl-2-[3-fluoro-4-(5-methyltetrazol-5-yl)phenyl]propanoate?
methyl 3-cyclopentyl-2-[3-fluoro-4-(5-methyltetrazol-5-yl)phenyl]propanoate has a molecular weight of 332.38 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopentyl-2-[3-fluoro-4-(5-methyltetrazol-5-yl)phenyl]propanoate is sourced from PubChem (CID 67484010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).