2-amino-3-(3-fluoro-4-formylphenyl)propanoic acid

C10H10FNO3 — CID 138393515

IUPAC2-amino-3-(3-fluoro-4-formylphenyl)propanoic acid
SMILESNC(Cc1ccc(C=O)c(F)c1)C(=O)O
InChIInChI=1S/C10H10FNO3/c11-8-3-6(1-2-7(8)5-13)4-9(12)10(14)15/h1-3,5,9H,4,12H2,(H,14,15)
InChIKeyVOLUWZIBXBLNAV-UHFFFAOYSA-N
MW211.19 g/mol
LogP0.59
Rot. Bonds4

About 2-amino-3-(3-fluoro-4-formylphenyl)propanoic acid

2-amino-3-(3-fluoro-4-formylphenyl)propanoic acid (PubChem CID 138393515) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is 2-amino-3-(3-fluoro-4-formylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-fluoro-4-formylphenyl)propanoic acid
PubChem CID138393515
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name2-amino-3-(3-fluoro-4-formylphenyl)propanoic acid
SMILESNC(Cc1ccc(C=O)c(F)c1)C(=O)O
InChIInChI=1S/C10H10FNO3/c11-8-3-6(1-2-7(8)5-13)4-9(12)10(14)15/h1-3,5,9H,4,12H2,(H,14,15)
InChIKeyVOLUWZIBXBLNAV-UHFFFAOYSA-N
XLogP0.59
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-fluoro-4-formylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(3-fluoro-4-formylphenyl)propanoic acid (CID 138393515) is 2-amino-3-(3-fluoro-4-formylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-fluoro-4-formylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-fluoro-4-formylphenyl)propanoic acid is NC(Cc1ccc(C=O)c(F)c1)C(=O)O.
What is the InChIKey of 2-amino-3-(3-fluoro-4-formylphenyl)propanoic acid?
The InChIKey is VOLUWZIBXBLNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c11-8-3-6(1-2-7(8)5-13)4-9(12)10(14)15/h1-3,5,9H,4,12H2,(H,14,15).
What are the key properties of 2-amino-3-(3-fluoro-4-formylphenyl)propanoic acid?
2-amino-3-(3-fluoro-4-formylphenyl)propanoic acid has a molecular weight of 211.19 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-fluoro-4-formylphenyl)propanoic acid is sourced from PubChem (CID 138393515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).