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

C10H9F2N2NaO7 — CID 23696176

IUPACsodium 2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
SMILESO=C1CCC(C(=O)[O-])(N2OC[C@H](NC(=O)C(F)F)C2=O)O1.[Na+]
InChIInChI=1S/C10H10F2N2O7.Na/c11-6(12)7(16)13-4-3-20-14(8(4)17)10(9(18)19)2-1-5(15)21-10;/h4,6H,1-3H2,(H,13,16)(H,18,19);/q;+1/p-1/t4-,10?;/m0./s1
InChIKeyBSNKPUYRZWAZAZ-NFCCBBSLSA-M
MW330.18 g/mol
LogP-5.70
Rot. Bonds4

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

sodium 2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate (PubChem CID 23696176) has the molecular formula C10H9F2N2NaO7 and a molecular weight of 330.18 g/mol. Its IUPAC name is sodium 2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Namesodium 2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
PubChem CID23696176
Molecular FormulaC10H9F2N2NaO7
Molecular Weight330.18 g/mol
Exact Mass330.03
IUPAC Namesodium 2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
SMILESO=C1CCC(C(=O)[O-])(N2OC[C@H](NC(=O)C(F)F)C2=O)O1.[Na+]
InChIInChI=1S/C10H10F2N2O7.Na/c11-6(12)7(16)13-4-3-20-14(8(4)17)10(9(18)19)2-1-5(15)21-10;/h4,6H,1-3H2,(H,13,16)(H,18,19);/q;+1/p-1/t4-,10?;/m0./s1
InChIKeyBSNKPUYRZWAZAZ-NFCCBBSLSA-M
XLogP-5.70
TPSA125.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 5-5.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of sodium 2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
The IUPAC name of sodium 2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate (CID 23696176) is sodium 2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate.
What is the SMILES notation for sodium 2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
The canonical SMILES for sodium 2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate is O=C1CCC(C(=O)[O-])(N2OC[C@H](NC(=O)C(F)F)C2=O)O1.[Na+].
What is the InChIKey of sodium 2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
The InChIKey is BSNKPUYRZWAZAZ-NFCCBBSLSA-M. The full InChI is InChI=1S/C10H10F2N2O7.Na/c11-6(12)7(16)13-4-3-20-14(8(4)17)10(9(18)19)2-1-5(15)21-10;/h4,6H,1-3H2,(H,13,16)(H,18,19);/q;+1/p-1/t4-,10?;/m0./s1.
What are the key properties of sodium 2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
sodium 2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate has a molecular weight of 330.18 g/mol, XLogP of -5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 23696176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).