2-[2-(2,3-difluorophenyl)ethylamino]pentanoic acid

C13H17F2NO2 — CID 69141762

IUPAC2-[2-(2,3-difluorophenyl)ethylamino]pentanoic acid
SMILESCCCC(NCCc1cccc(F)c1F)C(=O)O
InChIInChI=1S/C13H17F2NO2/c1-2-4-11(13(17)18)16-8-7-9-5-3-6-10(14)12(9)15/h3,5-6,11,16H,2,4,7-8H2,1H3,(H,17,18)
InChIKeyPEXUCWXKLXTVNU-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.35
Rot. Bonds7

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

2-[2-(2,3-difluorophenyl)ethylamino]pentanoic acid (PubChem CID 69141762) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-[2-(2,3-difluorophenyl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name2-[2-(2,3-difluorophenyl)ethylamino]pentanoic acid
PubChem CID69141762
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name2-[2-(2,3-difluorophenyl)ethylamino]pentanoic acid
SMILESCCCC(NCCc1cccc(F)c1F)C(=O)O
InChIInChI=1S/C13H17F2NO2/c1-2-4-11(13(17)18)16-8-7-9-5-3-6-10(14)12(9)15/h3,5-6,11,16H,2,4,7-8H2,1H3,(H,17,18)
InChIKeyPEXUCWXKLXTVNU-UHFFFAOYSA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[2-(2,3-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
CID 11429435
(2R)-2-[[2-(2,3-difluorophenyl)acetyl]amino]pentanoic acid
CID 107563589
(2R)-4-(3-fluoro-2-methoxyphenyl)-2-(propylamino)butanoic acid
CID 124927388
(2R)-2-[[2-(2,6-difluorophenyl)acetyl]amino]pentanoic acid
CID 107562809
4-(2,6-difluorophenoxy)-2-(propylamino)butanoic acid
CID 81269196
ethyl (2S)-5-[2-[2-(2,3-difluorophenyl)ethyl]hydrazinyl]-2-propylpentanoate
CID 90433961
2-[(2-fluorophenyl)methylamino]hexanoic acid
CID 82364371
(2S)-3-[3-(2,3-difluorophenyl)propanoylamino]-2-methylpropanoic acid
CID 97324559
3-(2,3-difluorophenyl)-2-methylpropanoic acid
CID 61130457
2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]pentanoic acid
CID 61413250
2-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid
CID 122039825
(2S)-2-[3-(2,3-difluorophenyl)propanoylamino]propanoic acid
CID 119238181

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-difluorophenyl)ethylamino]pentanoic acid?
The IUPAC name of 2-[2-(2,3-difluorophenyl)ethylamino]pentanoic acid (CID 69141762) is 2-[2-(2,3-difluorophenyl)ethylamino]pentanoic acid.
What is the SMILES notation for 2-[2-(2,3-difluorophenyl)ethylamino]pentanoic acid?
The canonical SMILES for 2-[2-(2,3-difluorophenyl)ethylamino]pentanoic acid is CCCC(NCCc1cccc(F)c1F)C(=O)O.
What is the InChIKey of 2-[2-(2,3-difluorophenyl)ethylamino]pentanoic acid?
The InChIKey is PEXUCWXKLXTVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-2-4-11(13(17)18)16-8-7-9-5-3-6-10(14)12(9)15/h3,5-6,11,16H,2,4,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[2-(2,3-difluorophenyl)ethylamino]pentanoic acid?
2-[2-(2,3-difluorophenyl)ethylamino]pentanoic acid has a molecular weight of 257.28 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-difluorophenyl)ethylamino]pentanoic acid is sourced from PubChem (CID 69141762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).