2-amino-3-(2,3,5,6-tetrafluorophenyl)propanoic acid

C9H7F4NO2 — CID 22326238

IUPAC2-amino-3-(2,3,5,6-tetrafluorophenyl)propanoic acid
SMILESNC(Cc1c(F)c(F)cc(F)c1F)C(=O)O
InChIInChI=1S/C9H7F4NO2/c10-4-2-5(11)8(13)3(7(4)12)1-6(14)9(15)16/h2,6H,1,14H2,(H,15,16)
InChIKeyJFDDIQNKNLUINS-UHFFFAOYSA-N
MW237.15 g/mol
LogP1.20
Rot. Bonds3

About 2-amino-3-(2,3,5,6-tetrafluorophenyl)propanoic acid

2-amino-3-(2,3,5,6-tetrafluorophenyl)propanoic acid (PubChem CID 22326238) has the molecular formula C9H7F4NO2 and a molecular weight of 237.15 g/mol. Its IUPAC name is 2-amino-3-(2,3,5,6-tetrafluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2,3,5,6-tetrafluorophenyl)propanoic acid
PubChem CID22326238
Molecular FormulaC9H7F4NO2
Molecular Weight237.15 g/mol
Exact Mass237.04
IUPAC Name2-amino-3-(2,3,5,6-tetrafluorophenyl)propanoic acid
SMILESNC(Cc1c(F)c(F)cc(F)c1F)C(=O)O
InChIInChI=1S/C9H7F4NO2/c10-4-2-5(11)8(13)3(7(4)12)1-6(14)9(15)16/h2,6H,1,14H2,(H,15,16)
InChIKeyJFDDIQNKNLUINS-UHFFFAOYSA-N
XLogP1.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.15
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-amino-3-(2,3,5,6-tetrafluorophenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,3,5,6-tetrafluorophenyl)propanoic acid?
The IUPAC name of 2-amino-3-(2,3,5,6-tetrafluorophenyl)propanoic acid (CID 22326238) is 2-amino-3-(2,3,5,6-tetrafluorophenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2,3,5,6-tetrafluorophenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(2,3,5,6-tetrafluorophenyl)propanoic acid is NC(Cc1c(F)c(F)cc(F)c1F)C(=O)O.
What is the InChIKey of 2-amino-3-(2,3,5,6-tetrafluorophenyl)propanoic acid?
The InChIKey is JFDDIQNKNLUINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4NO2/c10-4-2-5(11)8(13)3(7(4)12)1-6(14)9(15)16/h2,6H,1,14H2,(H,15,16).
What are the key properties of 2-amino-3-(2,3,5,6-tetrafluorophenyl)propanoic acid?
2-amino-3-(2,3,5,6-tetrafluorophenyl)propanoic acid has a molecular weight of 237.15 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,3,5,6-tetrafluorophenyl)propanoic acid is sourced from PubChem (CID 22326238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).