5-[2-(3-fluorophenyl)propanoylamino]pentanoic acid

C14H18FNO3 — CID 119235220

IUPAC5-[2-(3-fluorophenyl)propanoylamino]pentanoic acid
SMILESCC(C(=O)NCCCCC(=O)O)c1cccc(F)c1
InChIInChI=1S/C14H18FNO3/c1-10(11-5-4-6-12(15)9-11)14(19)16-8-3-2-7-13(17)18/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyRULUQOYQCSXCFH-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.30
Rot. Bonds7

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

5-[2-(3-fluorophenyl)propanoylamino]pentanoic acid (PubChem CID 119235220) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)propanoylamino]pentanoic acid
PubChem CID119235220
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name5-[2-(3-fluorophenyl)propanoylamino]pentanoic acid
SMILESCC(C(=O)NCCCCC(=O)O)c1cccc(F)c1
InChIInChI=1S/C14H18FNO3/c1-10(11-5-4-6-12(15)9-11)14(19)16-8-3-2-7-13(17)18/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyRULUQOYQCSXCFH-UHFFFAOYSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.30
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

6-[[3-(3-fluorophenyl)-2-methylpropanoyl]amino]hexanoic acid
CID 119219942
7-[2-(3-methoxyphenyl)propanoylamino]heptanoic acid
CID 119350863
2-(3-fluorophenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119500340
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanoic acid
CID 81365721
(3S)-3-[[(2S)-2-(3-fluorophenyl)propanoyl]amino]butanoic acid
CID 97234251
4-(2-naphthalen-2-ylpropanoylamino)butanoic acid
CID 119352727
2-[1-(3-fluorophenyl)ethylamino]-N-pentylpropanamide
CID 60720096
4-amino-5-[1-(3-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 64890884
5-[1-(3-fluorophenyl)ethylcarbamoylamino]hexanoic acid
CID 82846759
methyl 6-(2-phenylpropanoylamino)hexanoate
CID 104916813
2-[2-(3-fluorophenyl)propanoylamino]-3-methylbutanoic acid
CID 75383446
2-[2-(3-fluorophenyl)propanoylamino]-2-methylbutanoic acid
CID 119199718

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenyl)propanoylamino]pentanoic acid?
The IUPAC name of 5-[2-(3-fluorophenyl)propanoylamino]pentanoic acid (CID 119235220) is 5-[2-(3-fluorophenyl)propanoylamino]pentanoic acid.
What is the SMILES notation for 5-[2-(3-fluorophenyl)propanoylamino]pentanoic acid?
The canonical SMILES for 5-[2-(3-fluorophenyl)propanoylamino]pentanoic acid is CC(C(=O)NCCCCC(=O)O)c1cccc(F)c1.
What is the InChIKey of 5-[2-(3-fluorophenyl)propanoylamino]pentanoic acid?
The InChIKey is RULUQOYQCSXCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-10(11-5-4-6-12(15)9-11)14(19)16-8-3-2-7-13(17)18/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-[2-(3-fluorophenyl)propanoylamino]pentanoic acid?
5-[2-(3-fluorophenyl)propanoylamino]pentanoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)propanoylamino]pentanoic acid is sourced from PubChem (CID 119235220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).