4-(azetidin-1-yl)-5-methyl-4-phenylhexanoic acid

C16H23NO2 — CID 166691272

IUPAC4-(azetidin-1-yl)-5-methyl-4-phenylhexanoic acid
SMILESCC(C)C(CCC(=O)O)(c1ccccc1)N1CCC1
InChIInChI=1S/C16H23NO2/c1-13(2)16(10-9-15(18)19,17-11-6-12-17)14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,18,19)
InChIKeySDLDITNMWSHLGP-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.11
Rot. Bonds6

About 4-(azetidin-1-yl)-5-methyl-4-phenylhexanoic acid

4-(azetidin-1-yl)-5-methyl-4-phenylhexanoic acid (PubChem CID 166691272) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-5-methyl-4-phenylhexanoic acid.

Molecular Properties

Compound Name4-(azetidin-1-yl)-5-methyl-4-phenylhexanoic acid
PubChem CID166691272
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name4-(azetidin-1-yl)-5-methyl-4-phenylhexanoic acid
SMILESCC(C)C(CCC(=O)O)(c1ccccc1)N1CCC1
InChIInChI=1S/C16H23NO2/c1-13(2)16(10-9-15(18)19,17-11-6-12-17)14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,18,19)
InChIKeySDLDITNMWSHLGP-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(azetidin-1-yl)-5-methyl-4-phenylhexanoic acid 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 4-(azetidin-1-yl)-5-methyl-4-phenylhexanoic acid?
The IUPAC name of 4-(azetidin-1-yl)-5-methyl-4-phenylhexanoic acid (CID 166691272) is 4-(azetidin-1-yl)-5-methyl-4-phenylhexanoic acid.
What is the SMILES notation for 4-(azetidin-1-yl)-5-methyl-4-phenylhexanoic acid?
The canonical SMILES for 4-(azetidin-1-yl)-5-methyl-4-phenylhexanoic acid is CC(C)C(CCC(=O)O)(c1ccccc1)N1CCC1.
What is the InChIKey of 4-(azetidin-1-yl)-5-methyl-4-phenylhexanoic acid?
The InChIKey is SDLDITNMWSHLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(2)16(10-9-15(18)19,17-11-6-12-17)14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,18,19).
What are the key properties of 4-(azetidin-1-yl)-5-methyl-4-phenylhexanoic acid?
4-(azetidin-1-yl)-5-methyl-4-phenylhexanoic acid has a molecular weight of 261.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-5-methyl-4-phenylhexanoic acid is sourced from PubChem (CID 166691272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).