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

C10H8F3N2NaO7 — CID 23696142

IUPACsodium 5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylate
SMILESO=C1CCC(C(=O)[O-])(N2OC[C@H](NC(=O)C(F)(F)F)C2=O)O1.[Na+]
InChIInChI=1S/C10H9F3N2O7.Na/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);/q;+1/p-1/t4-,9?;/m0./s1
InChIKeyQBTFADKIVIOJTM-FIDKTRTBSA-M
MW348.17 g/mol
LogP-5.41
Rot. Bonds3

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

sodium 5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylate (PubChem CID 23696142) has the molecular formula C10H8F3N2NaO7 and a molecular weight of 348.17 g/mol. Its IUPAC name is sodium 5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylate.

Molecular Properties

Compound Namesodium 5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylate
PubChem CID23696142
Molecular FormulaC10H8F3N2NaO7
Molecular Weight348.17 g/mol
Exact Mass348.02
IUPAC Namesodium 5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylate
SMILESO=C1CCC(C(=O)[O-])(N2OC[C@H](NC(=O)C(F)(F)F)C2=O)O1.[Na+]
InChIInChI=1S/C10H9F3N2O7.Na/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);/q;+1/p-1/t4-,9?;/m0./s1
InChIKeyQBTFADKIVIOJTM-FIDKTRTBSA-M
XLogP-5.41
TPSA125.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 5-5.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of sodium 5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylate?
The IUPAC name of sodium 5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylate (CID 23696142) is sodium 5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylate.
What is the SMILES notation for sodium 5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylate?
The canonical SMILES for sodium 5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylate is O=C1CCC(C(=O)[O-])(N2OC[C@H](NC(=O)C(F)(F)F)C2=O)O1.[Na+].
What is the InChIKey of sodium 5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylate?
The InChIKey is QBTFADKIVIOJTM-FIDKTRTBSA-M. The full InChI is InChI=1S/C10H9F3N2O7.Na/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);/q;+1/p-1/t4-,9?;/m0./s1.
What are the key properties of sodium 5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylate?
sodium 5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylate has a molecular weight of 348.17 g/mol, XLogP of -5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-oxo-2-[(4S)-3-oxo-4-[(2,2,2-trifluoroacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylate is sourced from PubChem (CID 23696142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).