2-cyclopropyl-2-[[3-(difluoromethyl)thiophene-2-carbonyl]amino]propanoic acid

C12H13F2NO3S — CID 166249641

IUPAC2-cyclopropyl-2-[[3-(difluoromethyl)thiophene-2-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)c1sccc1C(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C12H13F2NO3S/c1-12(11(17)18,6-2-3-6)15-10(16)8-7(9(13)14)4-5-19-8/h4-6,9H,2-3H2,1H3,(H,15,16)(H,17,18)
InChIKeyOGOMOGMVZOUROI-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.67
Rot. Bonds5

About 2-cyclopropyl-2-[[3-(difluoromethyl)thiophene-2-carbonyl]amino]propanoic acid

2-cyclopropyl-2-[[3-(difluoromethyl)thiophene-2-carbonyl]amino]propanoic acid (PubChem CID 166249641) has the molecular formula C12H13F2NO3S and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[3-(difluoromethyl)thiophene-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[3-(difluoromethyl)thiophene-2-carbonyl]amino]propanoic acid
PubChem CID166249641
Molecular FormulaC12H13F2NO3S
Molecular Weight289.30 g/mol
Exact Mass289.06
IUPAC Name2-cyclopropyl-2-[[3-(difluoromethyl)thiophene-2-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)c1sccc1C(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C12H13F2NO3S/c1-12(11(17)18,6-2-3-6)15-10(16)8-7(9(13)14)4-5-19-8/h4-6,9H,2-3H2,1H3,(H,15,16)(H,17,18)
InChIKeyOGOMOGMVZOUROI-UHFFFAOYSA-N
XLogP2.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[3-(difluoromethyl)thiophene-2-carbonyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[3-(difluoromethyl)thiophene-2-carbonyl]amino]propanoic acid (CID 166249641) is 2-cyclopropyl-2-[[3-(difluoromethyl)thiophene-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[3-(difluoromethyl)thiophene-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[3-(difluoromethyl)thiophene-2-carbonyl]amino]propanoic acid is CC(NC(=O)c1sccc1C(F)F)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[3-(difluoromethyl)thiophene-2-carbonyl]amino]propanoic acid?
The InChIKey is OGOMOGMVZOUROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO3S/c1-12(11(17)18,6-2-3-6)15-10(16)8-7(9(13)14)4-5-19-8/h4-6,9H,2-3H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[[3-(difluoromethyl)thiophene-2-carbonyl]amino]propanoic acid?
2-cyclopropyl-2-[[3-(difluoromethyl)thiophene-2-carbonyl]amino]propanoic acid has a molecular weight of 289.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[3-(difluoromethyl)thiophene-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 166249641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).