2-[(4S)-4-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid

C11H12F2N2O7S — CID 70469002

IUPAC2-[(4S)-4-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
SMILESO=C(CSC(F)F)N[C@H]1CON(C2(C(=O)O)CCC(=O)O2)C1=O
InChIInChI=1S/C11H12F2N2O7S/c12-10(13)23-4-6(16)14-5-3-21-15(8(5)18)11(9(19)20)2-1-7(17)22-11/h5,10H,1-4H2,(H,14,16)(H,19,20)/t5-,11?/m0/s1
InChIKeyHQEIRETZLFFTSA-ITZCMCNPSA-N
MW354.29 g/mol
LogP-0.68
Rot. Bonds6

About 2-[(4S)-4-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid

2-[(4S)-4-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid (PubChem CID 70469002) has the molecular formula C11H12F2N2O7S and a molecular weight of 354.29 g/mol. Its IUPAC name is 2-[(4S)-4-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-[(4S)-4-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
PubChem CID70469002
Molecular FormulaC11H12F2N2O7S
Molecular Weight354.29 g/mol
Exact Mass354.03
IUPAC Name2-[(4S)-4-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
SMILESO=C(CSC(F)F)N[C@H]1CON(C2(C(=O)O)CCC(=O)O2)C1=O
InChIInChI=1S/C11H12F2N2O7S/c12-10(13)23-4-6(16)14-5-3-21-15(8(5)18)11(9(19)20)2-1-7(17)22-11/h5,10H,1-4H2,(H,14,16)(H,19,20)/t5-,11?/m0/s1
InChIKeyHQEIRETZLFFTSA-ITZCMCNPSA-N
XLogP-0.68
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
The IUPAC name of 2-[(4S)-4-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid (CID 70469002) is 2-[(4S)-4-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid.
What is the SMILES notation for 2-[(4S)-4-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
The canonical SMILES for 2-[(4S)-4-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid is O=C(CSC(F)F)N[C@H]1CON(C2(C(=O)O)CCC(=O)O2)C1=O.
What is the InChIKey of 2-[(4S)-4-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
The InChIKey is HQEIRETZLFFTSA-ITZCMCNPSA-N. The full InChI is InChI=1S/C11H12F2N2O7S/c12-10(13)23-4-6(16)14-5-3-21-15(8(5)18)11(9(19)20)2-1-7(17)22-11/h5,10H,1-4H2,(H,14,16)(H,19,20)/t5-,11?/m0/s1.
What are the key properties of 2-[(4S)-4-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
2-[(4S)-4-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid has a molecular weight of 354.29 g/mol, XLogP of -0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid is sourced from PubChem (CID 70469002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).