2-[4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]phenyl]propanoic acid

C17H23NO3 — CID 105346038

IUPAC2-[4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(CN2C3CCC2CC(O)C3)cc1
InChIInChI=1S/C17H23NO3/c1-11(17(20)21)13-4-2-12(3-5-13)10-18-14-6-7-15(18)9-16(19)8-14/h2-5,11,14-16,19H,6-10H2,1H3,(H,20,21)
InChIKeyCLJFWNWFSLANGW-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.36
Rot. Bonds4

About 2-[4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]phenyl]propanoic acid

2-[4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]phenyl]propanoic acid (PubChem CID 105346038) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]phenyl]propanoic acid
PubChem CID105346038
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-[4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(CN2C3CCC2CC(O)C3)cc1
InChIInChI=1S/C17H23NO3/c1-11(17(20)21)13-4-2-12(3-5-13)10-18-14-6-7-15(18)9-16(19)8-14/h2-5,11,14-16,19H,6-10H2,1H3,(H,20,21)
InChIKeyCLJFWNWFSLANGW-UHFFFAOYSA-N
XLogP2.36
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]phenyl]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-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]propanoic acid
CID 105346217
8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 55236052
8-[(4-aminophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 55243758
2-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 105345602
2-[4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 102959361
2-[4-[(2,4-dihydroxycyclopentyl)methyl]phenyl]propanoic acid
CID 131668289
2-[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)phenyl]propanoic acid
CID 105346070
2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 105345603
2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]propanoic acid
CID 105345698
2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]propanoic acid
CID 105345641
2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]propanoic acid
CID 105345668
2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenyl]propanoic acid
CID 105345955

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]phenyl]propanoic acid?
The IUPAC name of 2-[4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]phenyl]propanoic acid (CID 105346038) is 2-[4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]phenyl]propanoic acid.
What is the SMILES notation for 2-[4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]phenyl]propanoic acid?
The canonical SMILES for 2-[4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]phenyl]propanoic acid is CC(C(=O)O)c1ccc(CN2C3CCC2CC(O)C3)cc1.
What is the InChIKey of 2-[4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]phenyl]propanoic acid?
The InChIKey is CLJFWNWFSLANGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-11(17(20)21)13-4-2-12(3-5-13)10-18-14-6-7-15(18)9-16(19)8-14/h2-5,11,14-16,19H,6-10H2,1H3,(H,20,21).
What are the key properties of 2-[4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]phenyl]propanoic acid?
2-[4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]phenyl]propanoic acid has a molecular weight of 289.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]phenyl]propanoic acid is sourced from PubChem (CID 105346038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).