5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid

C10H9F3N2O7 — CID 14095862

IUPAC5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid
SMILESO=C1CCC(C(=O)O)(N2OC[C@H](NC(=O)C(F)(F)F)C2=O)O1
InChIInChI=1S/C10H9F3N2O7/c11-10(12,13)7(18)14-4-3-21-15(6(4)17)9(8(19)20)2-1-5(16)22-9/h4H,1-3H2,(H,14,18)(H,19,20)/t4-,9?/m0/s1
InChIKeyCHXYJKCSBDGUCU-HBSVBABPSA-N
MW326.18 g/mol
LogP-1.07
Rot. Bonds3

About 5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid

5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid (PubChem CID 14095862) has the molecular formula C10H9F3N2O7 and a molecular weight of 326.18 g/mol. Its IUPAC name is 5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid
PubChem CID14095862
Molecular FormulaC10H9F3N2O7
Molecular Weight326.18 g/mol
Exact Mass326.04
IUPAC Name5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid
SMILESO=C1CCC(C(=O)O)(N2OC[C@H](NC(=O)C(F)(F)F)C2=O)O1
InChIInChI=1S/C10H9F3N2O7/c11-10(12,13)7(18)14-4-3-21-15(6(4)17)9(8(19)20)2-1-5(16)22-9/h4H,1-3H2,(H,14,18)(H,19,20)/t4-,9?/m0/s1
InChIKeyCHXYJKCSBDGUCU-HBSVBABPSA-N
XLogP-1.07
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid?
The IUPAC name of 5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid (CID 14095862) is 5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid is O=C1CCC(C(=O)O)(N2OC[C@H](NC(=O)C(F)(F)F)C2=O)O1.
What is the InChIKey of 5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid?
The InChIKey is CHXYJKCSBDGUCU-HBSVBABPSA-N. The full InChI is InChI=1S/C10H9F3N2O7/c11-10(12,13)7(18)14-4-3-21-15(6(4)17)9(8(19)20)2-1-5(16)22-9/h4H,1-3H2,(H,14,18)(H,19,20)/t4-,9?/m0/s1.
What are the key properties of 5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid?
5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid has a molecular weight of 326.18 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid is sourced from PubChem (CID 14095862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).