2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]acetic acid

C10H10FNO3S — CID 43091944

IUPAC2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CSc1ccccc1F
InChIInChI=1S/C10H10FNO3S/c11-7-3-1-2-4-8(7)16-6-9(13)12-5-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)
InChIKeyJZIBFBRPIWEXFO-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.12
Rot. Bonds5

About 2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]acetic acid

2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]acetic acid (PubChem CID 43091944) has the molecular formula C10H10FNO3S and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]acetic acid
PubChem CID43091944
Molecular FormulaC10H10FNO3S
Molecular Weight243.26 g/mol
Exact Mass243.04
IUPAC Name2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CSc1ccccc1F
InChIInChI=1S/C10H10FNO3S/c11-7-3-1-2-4-8(7)16-6-9(13)12-5-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)
InChIKeyJZIBFBRPIWEXFO-UHFFFAOYSA-N
XLogP1.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]acetic acid (CID 43091944) is 2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]acetic acid is O=C(O)CNC(=O)CSc1ccccc1F.
What is the InChIKey of 2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]acetic acid?
The InChIKey is JZIBFBRPIWEXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3S/c11-7-3-1-2-4-8(7)16-6-9(13)12-5-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15).
What are the key properties of 2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]acetic acid?
2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]acetic acid has a molecular weight of 243.26 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]acetic acid is sourced from PubChem (CID 43091944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).