2-[1-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid

C10H14F3NO4S — CID 65442548

IUPAC2-[1-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(CS(=O)CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO4S/c11-10(12,13)5-14-7(15)4-19(18)6-9(1-2-9)3-8(16)17/h1-6H2,(H,14,15)(H,16,17)
InChIKeyOPRRFRJWWFNMSU-UHFFFAOYSA-N
MW301.29 g/mol
LogP0.67
Rot. Bonds7

About 2-[1-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid

2-[1-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid (PubChem CID 65442548) has the molecular formula C10H14F3NO4S and a molecular weight of 301.29 g/mol. Its IUPAC name is 2-[1-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid
PubChem CID65442548
Molecular FormulaC10H14F3NO4S
Molecular Weight301.29 g/mol
Exact Mass301.06
IUPAC Name2-[1-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(CS(=O)CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO4S/c11-10(12,13)5-14-7(15)4-19(18)6-9(1-2-9)3-8(16)17/h1-6H2,(H,14,15)(H,16,17)
InChIKeyOPRRFRJWWFNMSU-UHFFFAOYSA-N
XLogP0.67
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid (CID 65442548) is 2-[1-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid is O=C(O)CC1(CS(=O)CC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[1-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid?
The InChIKey is OPRRFRJWWFNMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO4S/c11-10(12,13)5-14-7(15)4-19(18)6-9(1-2-9)3-8(16)17/h1-6H2,(H,14,15)(H,16,17).
What are the key properties of 2-[1-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid?
2-[1-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid has a molecular weight of 301.29 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65442548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).