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

C14H17F2NO3 — CID 119234208

IUPAC5-[3-(2,5-difluorophenyl)propanoylamino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)CCc1cc(F)ccc1F
InChIInChI=1S/C14H17F2NO3/c15-11-5-6-12(16)10(9-11)4-7-13(18)17-8-2-1-3-14(19)20/h5-6,9H,1-4,7-8H2,(H,17,18)(H,19,20)
InChIKeyCWXCICWTYLKYOW-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.27
Rot. Bonds8

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

5-[3-(2,5-difluorophenyl)propanoylamino]pentanoic acid (PubChem CID 119234208) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is 5-[3-(2,5-difluorophenyl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name5-[3-(2,5-difluorophenyl)propanoylamino]pentanoic acid
PubChem CID119234208
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name5-[3-(2,5-difluorophenyl)propanoylamino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)CCc1cc(F)ccc1F
InChIInChI=1S/C14H17F2NO3/c15-11-5-6-12(16)10(9-11)4-7-13(18)17-8-2-1-3-14(19)20/h5-6,9H,1-4,7-8H2,(H,17,18)(H,19,20)
InChIKeyCWXCICWTYLKYOW-UHFFFAOYSA-N
XLogP2.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide
CID 110902844
6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid
CID 16793042
3-(2,5-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]propanamide
CID 111429680
N-[2-(2,5-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110788175
N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 71113752
2-amino-N-[2-(2,5-difluorophenyl)ethyl]acetamide
CID 82492756
N-[2-(2,5-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788190
5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 62032120
1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea
CID 71981439
6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid
CID 43352869
2-[3-(2,5-difluorophenyl)propanoylamino]butanoic acid
CID 119223283
3-[2-(2,5-difluorophenyl)ethoxy]propanoic acid
CID 94768590

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,5-difluorophenyl)propanoylamino]pentanoic acid?
The IUPAC name of 5-[3-(2,5-difluorophenyl)propanoylamino]pentanoic acid (CID 119234208) is 5-[3-(2,5-difluorophenyl)propanoylamino]pentanoic acid.
What is the SMILES notation for 5-[3-(2,5-difluorophenyl)propanoylamino]pentanoic acid?
The canonical SMILES for 5-[3-(2,5-difluorophenyl)propanoylamino]pentanoic acid is O=C(O)CCCCNC(=O)CCc1cc(F)ccc1F.
What is the InChIKey of 5-[3-(2,5-difluorophenyl)propanoylamino]pentanoic acid?
The InChIKey is CWXCICWTYLKYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c15-11-5-6-12(16)10(9-11)4-7-13(18)17-8-2-1-3-14(19)20/h5-6,9H,1-4,7-8H2,(H,17,18)(H,19,20).
What are the key properties of 5-[3-(2,5-difluorophenyl)propanoylamino]pentanoic acid?
5-[3-(2,5-difluorophenyl)propanoylamino]pentanoic acid has a molecular weight of 285.29 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,5-difluorophenyl)propanoylamino]pentanoic acid is sourced from PubChem (CID 119234208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).