3-[(3-fluorophenyl)methyl-pentylamino]propanoic acid

C15H22FNO2 — CID 82330494

IUPAC3-[(3-fluorophenyl)methyl-pentylamino]propanoic acid
SMILESCCCCCN(CCC(=O)O)Cc1cccc(F)c1
InChIInChI=1S/C15H22FNO2/c1-2-3-4-9-17(10-8-15(18)19)12-13-6-5-7-14(16)11-13/h5-7,11H,2-4,8-10,12H2,1H3,(H,18,19)
InChIKeyJHIBSFWBMKKWDX-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.29
Rot. Bonds9

About 3-[(3-fluorophenyl)methyl-pentylamino]propanoic acid

3-[(3-fluorophenyl)methyl-pentylamino]propanoic acid (PubChem CID 82330494) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl-pentylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl-pentylamino]propanoic acid
PubChem CID82330494
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name3-[(3-fluorophenyl)methyl-pentylamino]propanoic acid
SMILESCCCCCN(CCC(=O)O)Cc1cccc(F)c1
InChIInChI=1S/C15H22FNO2/c1-2-3-4-9-17(10-8-15(18)19)12-13-6-5-7-14(16)11-13/h5-7,11H,2-4,8-10,12H2,1H3,(H,18,19)
InChIKeyJHIBSFWBMKKWDX-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(3-fluorophenyl)methyl-pentylamino]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

3-[butyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82328171
3-[heptyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82328776
8-[benzyl(octadeca-8,11-dienyl)amino]octanoic acid
CID 123861162
N-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]propan-1-amine
CID 63386534
1-[benzyl(3,6-dioxododecyl)amino]dodecane-3,6-dione
CID 172835899
3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911679
N'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine
CID 61350683
3-[3-[[butyl(methyl)amino]methyl]phenyl]propanoic acid
CID 84758615
3-[benzyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82327653
N-decyl-N-[(3-methylphenyl)methyl]decan-1-amine
CID 6426056
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl-pentylamino]propanoic acid?
The IUPAC name of 3-[(3-fluorophenyl)methyl-pentylamino]propanoic acid (CID 82330494) is 3-[(3-fluorophenyl)methyl-pentylamino]propanoic acid.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl-pentylamino]propanoic acid?
The canonical SMILES for 3-[(3-fluorophenyl)methyl-pentylamino]propanoic acid is CCCCCN(CCC(=O)O)Cc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl-pentylamino]propanoic acid?
The InChIKey is JHIBSFWBMKKWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-2-3-4-9-17(10-8-15(18)19)12-13-6-5-7-14(16)11-13/h5-7,11H,2-4,8-10,12H2,1H3,(H,18,19).
What are the key properties of 3-[(3-fluorophenyl)methyl-pentylamino]propanoic acid?
3-[(3-fluorophenyl)methyl-pentylamino]propanoic acid has a molecular weight of 267.34 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl-pentylamino]propanoic acid is sourced from PubChem (CID 82330494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).