2-cyclopropyl-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]propanoic acid

C14H16FNO3S — CID 43360331

IUPAC2-cyclopropyl-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]propanoic acid
SMILESCC(NC(=O)CSc1ccccc1F)(C(=O)O)C1CC1
InChIInChI=1S/C14H16FNO3S/c1-14(13(18)19,9-6-7-9)16-12(17)8-20-11-5-3-2-4-10(11)15/h2-5,9H,6-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyZNAVMEJYTFDERQ-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.29
Rot. Bonds6

About 2-cyclopropyl-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]propanoic acid

2-cyclopropyl-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]propanoic acid (PubChem CID 43360331) has the molecular formula C14H16FNO3S and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]propanoic acid
PubChem CID43360331
Molecular FormulaC14H16FNO3S
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC Name2-cyclopropyl-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]propanoic acid
SMILESCC(NC(=O)CSc1ccccc1F)(C(=O)O)C1CC1
InChIInChI=1S/C14H16FNO3S/c1-14(13(18)19,9-6-7-9)16-12(17)8-20-11-5-3-2-4-10(11)15/h2-5,9H,6-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyZNAVMEJYTFDERQ-UHFFFAOYSA-N
XLogP2.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]propanoic acid (CID 43360331) is 2-cyclopropyl-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]propanoic acid is CC(NC(=O)CSc1ccccc1F)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]propanoic acid?
The InChIKey is ZNAVMEJYTFDERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S/c1-14(13(18)19,9-6-7-9)16-12(17)8-20-11-5-3-2-4-10(11)15/h2-5,9H,6-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]propanoic acid?
2-cyclopropyl-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]propanoic acid has a molecular weight of 297.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]propanoic acid is sourced from PubChem (CID 43360331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).