2-amino-3-(4-fluorophenyl)propanoic acid

C9H10FNO2 — CID 4654

IUPAC2-amino-3-(4-fluorophenyl)propanoic acid
SMILESNC(Cc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChIKeyXWHHYOYVRVGJJY-UHFFFAOYSA-N
MW183.18 g/mol
LogP0.78
Rot. Bonds3

About 2-amino-3-(4-fluorophenyl)propanoic acid

2-amino-3-(4-fluorophenyl)propanoic acid (PubChem CID 4654) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 2-amino-3-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-fluorophenyl)propanoic acid
PubChem CID4654
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name2-amino-3-(4-fluorophenyl)propanoic acid
SMILESNC(Cc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChIKeyXWHHYOYVRVGJJY-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-fluorophenyl)propanoic acid?
The IUPAC name of 2-amino-3-(4-fluorophenyl)propanoic acid (CID 4654) is 2-amino-3-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-fluorophenyl)propanoic acid is NC(Cc1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-amino-3-(4-fluorophenyl)propanoic acid?
The InChIKey is XWHHYOYVRVGJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13).
What are the key properties of 2-amino-3-(4-fluorophenyl)propanoic acid?
2-amino-3-(4-fluorophenyl)propanoic acid has a molecular weight of 183.18 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 4654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).