3-(2-amino-5-fluorophenyl)propanoic acid

C9H10FNO2 — CID 84658918

IUPAC3-(2-amino-5-fluorophenyl)propanoic acid
SMILESNc1ccc(F)cc1CCC(=O)O
InChIInChI=1S/C9H10FNO2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h2-3,5H,1,4,11H2,(H,12,13)
InChIKeyKBMNCDAEKAXIFS-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.43
Rot. Bonds3

About 3-(2-amino-5-fluorophenyl)propanoic acid

3-(2-amino-5-fluorophenyl)propanoic acid (PubChem CID 84658918) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 3-(2-amino-5-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-amino-5-fluorophenyl)propanoic acid
PubChem CID84658918
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name3-(2-amino-5-fluorophenyl)propanoic acid
SMILESNc1ccc(F)cc1CCC(=O)O
InChIInChI=1S/C9H10FNO2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h2-3,5H,1,4,11H2,(H,12,13)
InChIKeyKBMNCDAEKAXIFS-UHFFFAOYSA-N
XLogP1.43
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid
CID 91883856
3-(2-amino-5-methylphenyl)propanoic acid
CID 83852984
3-(2,4-difluorophenyl)propanoic acid;hydrochloride
CID 175907360
CID 6330703
CID 6330703
4-fluoro-2-propylaniline
CID 23348947
3-(3-amino-5-fluoro-2-nitrophenyl)propanoic acid
CID 142948564
3-[2-[carboxy(hydroxy)methyl]-4-fluorophenyl]propanoic acid
CID 118841930
3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 10899794
5-(2-amino-5-fluoroanilino)-5-oxopentanoic acid
CID 110482697
4-fluoro-2-heptylaniline
CID 67191637
2-(3-aminobutyl)-4-fluoroaniline
CID 105440162
3-[2-(2,5-difluorophenyl)ethoxy]propanoic acid
CID 94768590

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-fluorophenyl)propanoic acid?
The IUPAC name of 3-(2-amino-5-fluorophenyl)propanoic acid (CID 84658918) is 3-(2-amino-5-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-(2-amino-5-fluorophenyl)propanoic acid?
The canonical SMILES for 3-(2-amino-5-fluorophenyl)propanoic acid is Nc1ccc(F)cc1CCC(=O)O.
What is the InChIKey of 3-(2-amino-5-fluorophenyl)propanoic acid?
The InChIKey is KBMNCDAEKAXIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h2-3,5H,1,4,11H2,(H,12,13).
What are the key properties of 3-(2-amino-5-fluorophenyl)propanoic acid?
3-(2-amino-5-fluorophenyl)propanoic acid has a molecular weight of 183.18 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-fluorophenyl)propanoic acid is sourced from PubChem (CID 84658918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).