2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]acetic acid

C10H9F2NO3S — CID 43132286

IUPAC2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CSc1ccc(F)cc1F
InChIInChI=1S/C10H9F2NO3S/c11-6-1-2-8(7(12)3-6)17-5-9(14)13-4-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
InChIKeyLVBFMYSBXZWZCI-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.26
Rot. Bonds5

About 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]acetic acid

2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]acetic acid (PubChem CID 43132286) has the molecular formula C10H9F2NO3S and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]acetic acid
PubChem CID43132286
Molecular FormulaC10H9F2NO3S
Molecular Weight261.25 g/mol
Exact Mass261.03
IUPAC Name2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CSc1ccc(F)cc1F
InChIInChI=1S/C10H9F2NO3S/c11-6-1-2-8(7(12)3-6)17-5-9(14)13-4-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
InChIKeyLVBFMYSBXZWZCI-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]acetic acid (CID 43132286) is 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]acetic acid is O=C(O)CNC(=O)CSc1ccc(F)cc1F.
What is the InChIKey of 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]acetic acid?
The InChIKey is LVBFMYSBXZWZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO3S/c11-6-1-2-8(7(12)3-6)17-5-9(14)13-4-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16).
What are the key properties of 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]acetic acid?
2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]acetic acid has a molecular weight of 261.25 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]acetic acid is sourced from PubChem (CID 43132286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).