2-[2-(3,5-difluorophenyl)propylamino]pentanoic acid

C14H19F2NO2 — CID 122039739

IUPAC2-[2-(3,5-difluorophenyl)propylamino]pentanoic acid
SMILESCCCC(NCC(C)c1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C14H19F2NO2/c1-3-4-13(14(18)19)17-8-9(2)10-5-11(15)7-12(16)6-10/h5-7,9,13,17H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyPSIZDETXKOPURK-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.91
Rot. Bonds7

About 2-[2-(3,5-difluorophenyl)propylamino]pentanoic acid

2-[2-(3,5-difluorophenyl)propylamino]pentanoic acid (PubChem CID 122039739) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-[2-(3,5-difluorophenyl)propylamino]pentanoic acid.

Molecular Properties

Compound Name2-[2-(3,5-difluorophenyl)propylamino]pentanoic acid
PubChem CID122039739
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-[2-(3,5-difluorophenyl)propylamino]pentanoic acid
SMILESCCCC(NCC(C)c1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C14H19F2NO2/c1-3-4-13(14(18)19)17-8-9(2)10-5-11(15)7-12(16)6-10/h5-7,9,13,17H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyPSIZDETXKOPURK-UHFFFAOYSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-(3,5-difluorophenyl)propylamino]pentanoic 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

(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid
CID 93252503
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]pentanoic acid
CID 83041436
N-(3-fluoro-5-pentan-2-ylphenyl)acetamide
CID 155396943
2-[2-(4-methoxyphenyl)propylamino]hexanoic acid
CID 122039668
2-[(4-hydroxy-2-methylbutyl)amino]pentanoic acid
CID 83041748
(2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]pentanoic acid
CID 107566523
(2S)-2-[[2-(3,5-difluorophenyl)-2-hydroxyethyl]amino]propanoic acid
CID 131723865
2-[(3-fluoro-4-methylphenyl)methylamino]pentanoic acid
CID 65055420
3-(3,5-difluorophenyl)hexanoic acid
CID 82081317
2-[(2,3,4,5,6-pentafluorophenyl)methylamino]pentanoic acid
CID 43631833
2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid
CID 104605858
[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[(2S)-1-(2-methylpropylamino)-1-oxopentan-2-yl]amino]butan-2-yl]carbamic acid
CID 69440048

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-difluorophenyl)propylamino]pentanoic acid?
The IUPAC name of 2-[2-(3,5-difluorophenyl)propylamino]pentanoic acid (CID 122039739) is 2-[2-(3,5-difluorophenyl)propylamino]pentanoic acid.
What is the SMILES notation for 2-[2-(3,5-difluorophenyl)propylamino]pentanoic acid?
The canonical SMILES for 2-[2-(3,5-difluorophenyl)propylamino]pentanoic acid is CCCC(NCC(C)c1cc(F)cc(F)c1)C(=O)O.
What is the InChIKey of 2-[2-(3,5-difluorophenyl)propylamino]pentanoic acid?
The InChIKey is PSIZDETXKOPURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-3-4-13(14(18)19)17-8-9(2)10-5-11(15)7-12(16)6-10/h5-7,9,13,17H,3-4,8H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(3,5-difluorophenyl)propylamino]pentanoic acid?
2-[2-(3,5-difluorophenyl)propylamino]pentanoic acid has a molecular weight of 271.31 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-difluorophenyl)propylamino]pentanoic acid is sourced from PubChem (CID 122039739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).