3-(3-fluorophenyl)-3-(propylamino)pentanoic acid

C14H20FNO2 — CID 114873105

IUPAC3-(3-fluorophenyl)-3-(propylamino)pentanoic acid
SMILESCCCNC(CC)(CC(=O)O)c1cccc(F)c1
InChIInChI=1S/C14H20FNO2/c1-3-8-16-14(4-2,10-13(17)18)11-6-5-7-12(15)9-11/h5-7,9,16H,3-4,8,10H2,1-2H3,(H,17,18)
InChIKeyNBAZCSBQQZUEQJ-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.91
Rot. Bonds7

About 3-(3-fluorophenyl)-3-(propylamino)pentanoic acid

3-(3-fluorophenyl)-3-(propylamino)pentanoic acid (PubChem CID 114873105) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-3-(propylamino)pentanoic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-3-(propylamino)pentanoic acid
PubChem CID114873105
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name3-(3-fluorophenyl)-3-(propylamino)pentanoic acid
SMILESCCCNC(CC)(CC(=O)O)c1cccc(F)c1
InChIInChI=1S/C14H20FNO2/c1-3-8-16-14(4-2,10-13(17)18)11-6-5-7-12(15)9-11/h5-7,9,16H,3-4,8,10H2,1-2H3,(H,17,18)
InChIKeyNBAZCSBQQZUEQJ-UHFFFAOYSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-3-(methylamino)pentanamide
CID 114873102
3,3-difluoro-3-(3-fluorophenyl)propanoic acid
CID 84672023
3-(3-fluorophenyl)-4-hydroxy-3-methylbutanoic acid
CID 105465813
3-(3-fluorophenyl)-3-pyrrolidin-1-ylpentanoic acid
CID 114873020
2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine
CID 62595155
2-(3-fluorophenyl)-2-phenylbutanedioic acid
CID 152760459
ethyl 2-(3-fluorophenyl)-2-hydroxybutanoate
CID 114872880
2-(cycloheptylamino)-2-(3-fluorophenyl)butan-1-ol
CID 114872869
2-(benzylamino)-2-(3-fluorophenyl)butanoic acid
CID 114871957
2-(3-fluorophenyl)-2-(2-methylpropylamino)butanoic acid
CID 114871982
diethyl 2-ethyl-2-(3-fluorophenyl)propanedioate
CID 103973181
methyl 3-(4-ethylphenyl)-3-(propylamino)pentanoate
CID 65236066

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-3-(propylamino)pentanoic acid?
The IUPAC name of 3-(3-fluorophenyl)-3-(propylamino)pentanoic acid (CID 114873105) is 3-(3-fluorophenyl)-3-(propylamino)pentanoic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-3-(propylamino)pentanoic acid?
The canonical SMILES for 3-(3-fluorophenyl)-3-(propylamino)pentanoic acid is CCCNC(CC)(CC(=O)O)c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-3-(propylamino)pentanoic acid?
The InChIKey is NBAZCSBQQZUEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-8-16-14(4-2,10-13(17)18)11-6-5-7-12(15)9-11/h5-7,9,16H,3-4,8,10H2,1-2H3,(H,17,18).
What are the key properties of 3-(3-fluorophenyl)-3-(propylamino)pentanoic acid?
3-(3-fluorophenyl)-3-(propylamino)pentanoic acid has a molecular weight of 253.32 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 3-(3-fluorophenyl)-3-(propylamino)pentanoic acid is sourced from PubChem (CID 114873105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).