2-[(2-fluorobenzoyl)amino]propanoic acid

C10H10FNO3 — CID 4679772

IUPAC2-[(2-fluorobenzoyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccccc1F)C(=O)O
InChIInChI=1S/C10H10FNO3/c1-6(10(14)15)12-9(13)7-4-2-3-5-8(7)11/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyWPQXEFUAUOMLQE-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.03
Rot. Bonds3

About 2-[(2-fluorobenzoyl)amino]propanoic acid

2-[(2-fluorobenzoyl)amino]propanoic acid (PubChem CID 4679772) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is 2-[(2-fluorobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-fluorobenzoyl)amino]propanoic acid
PubChem CID4679772
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name2-[(2-fluorobenzoyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccccc1F)C(=O)O
InChIInChI=1S/C10H10FNO3/c1-6(10(14)15)12-9(13)7-4-2-3-5-8(7)11/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyWPQXEFUAUOMLQE-UHFFFAOYSA-N
XLogP1.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorobenzoyl)amino]propanoic acid?
The IUPAC name of 2-[(2-fluorobenzoyl)amino]propanoic acid (CID 4679772) is 2-[(2-fluorobenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-fluorobenzoyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-fluorobenzoyl)amino]propanoic acid is CC(NC(=O)c1ccccc1F)C(=O)O.
What is the InChIKey of 2-[(2-fluorobenzoyl)amino]propanoic acid?
The InChIKey is WPQXEFUAUOMLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-6(10(14)15)12-9(13)7-4-2-3-5-8(7)11/h2-6H,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(2-fluorobenzoyl)amino]propanoic acid?
2-[(2-fluorobenzoyl)amino]propanoic acid has a molecular weight of 211.19 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorobenzoyl)amino]propanoic acid is sourced from PubChem (CID 4679772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).