2-amino-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propanoic acid

C10H9F4NO3 — CID 146676073

IUPAC2-amino-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propanoic acid
SMILESNC(Cc1cc(F)ccc1OC(F)(F)F)C(=O)O
InChIInChI=1S/C10H9F4NO3/c11-6-1-2-8(18-10(12,13)14)5(3-6)4-7(15)9(16)17/h1-3,7H,4,15H2,(H,16,17)
InChIKeyADECALOIHLLEMM-UHFFFAOYSA-N
MW267.18 g/mol
LogP1.68
Rot. Bonds4

About 2-amino-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propanoic acid

2-amino-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propanoic acid (PubChem CID 146676073) has the molecular formula C10H9F4NO3 and a molecular weight of 267.18 g/mol. Its IUPAC name is 2-amino-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propanoic acid
PubChem CID146676073
Molecular FormulaC10H9F4NO3
Molecular Weight267.18 g/mol
Exact Mass267.05
IUPAC Name2-amino-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propanoic acid
SMILESNC(Cc1cc(F)ccc1OC(F)(F)F)C(=O)O
InChIInChI=1S/C10H9F4NO3/c11-6-1-2-8(18-10(12,13)14)5(3-6)4-7(15)9(16)17/h1-3,7H,4,15H2,(H,16,17)
InChIKeyADECALOIHLLEMM-UHFFFAOYSA-N
XLogP1.68
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid
CID 146168544
2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic acid
CID 10535946
(2S)-2-amino-3-[2-fluoro-4-(trifluoromethoxy)phenyl]propanoic acid
CID 97109406
2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propanoic acid
CID 170879632
1-bromo-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propan-2-one
CID 134616902
3-[2-(2-amino-2-carboxyethyl)-4-fluorophenyl]-2-methylpropanoic acid
CID 18956372
(2S)-2-amino-3-[2-bromo-4-(trifluoromethoxy)phenyl]propanoic acid
CID 165357050
2-amino-3-(5-fluoro-2-methoxyphenyl)propanehydrazide
CID 116848579
2-amino-3-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid
CID 3935984
(2S)-2-amino-3-[4-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 150225443
(2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;hydrate
CID 24721259
2-amino-3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid
CID 117329895

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propanoic acid (CID 146676073) is 2-amino-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propanoic acid is NC(Cc1cc(F)ccc1OC(F)(F)F)C(=O)O.
What is the InChIKey of 2-amino-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propanoic acid?
The InChIKey is ADECALOIHLLEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO3/c11-6-1-2-8(18-10(12,13)14)5(3-6)4-7(15)9(16)17/h1-3,7H,4,15H2,(H,16,17).
What are the key properties of 2-amino-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propanoic acid?
2-amino-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propanoic acid has a molecular weight of 267.18 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propanoic acid is sourced from PubChem (CID 146676073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).