sodium (2S)-2-hydroxy-4-oxo-4-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy]butanoic acid

C8H11NNaO7+ — CID 162324369

IUPACsodium (2S)-2-hydroxy-4-oxo-4-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy]butanoic acid
SMILESO=C(C[C@H](O)C(=O)O)OC[C@@H]1CNC(=O)O1.[Na+]
InChIInChI=1S/C8H11NO7.Na/c10-5(7(12)13)1-6(11)15-3-4-2-9-8(14)16-4;/h4-5,10H,1-3H2,(H,9,14)(H,12,13);/q;+1/t4-,5-;/m0./s1
InChIKeyUJBJIJQFEIKHHQ-FHAQVOQBSA-N
MW256.17 g/mol
LogP-4.52
Rot. Bonds5

About sodium (2S)-2-hydroxy-4-oxo-4-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy]butanoic acid

sodium (2S)-2-hydroxy-4-oxo-4-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy]butanoic acid (PubChem CID 162324369) has the molecular formula C8H11NNaO7+ and a molecular weight of 256.17 g/mol. Its IUPAC name is sodium (2S)-2-hydroxy-4-oxo-4-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy]butanoic acid.

Molecular Properties

Compound Namesodium (2S)-2-hydroxy-4-oxo-4-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy]butanoic acid
PubChem CID162324369
Molecular FormulaC8H11NNaO7+
Molecular Weight256.17 g/mol
Exact Mass256.04
IUPAC Namesodium (2S)-2-hydroxy-4-oxo-4-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy]butanoic acid
SMILESO=C(C[C@H](O)C(=O)O)OC[C@@H]1CNC(=O)O1.[Na+]
InChIInChI=1S/C8H11NO7.Na/c10-5(7(12)13)1-6(11)15-3-4-2-9-8(14)16-4;/h4-5,10H,1-3H2,(H,9,14)(H,12,13);/q;+1/t4-,5-;/m0./s1
InChIKeyUJBJIJQFEIKHHQ-FHAQVOQBSA-N
XLogP-4.52
TPSA122.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 5-4.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of sodium (2S)-2-hydroxy-4-oxo-4-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy]butanoic acid?
The IUPAC name of sodium (2S)-2-hydroxy-4-oxo-4-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy]butanoic acid (CID 162324369) is sodium (2S)-2-hydroxy-4-oxo-4-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy]butanoic acid.
What is the SMILES notation for sodium (2S)-2-hydroxy-4-oxo-4-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy]butanoic acid?
The canonical SMILES for sodium (2S)-2-hydroxy-4-oxo-4-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy]butanoic acid is O=C(C[C@H](O)C(=O)O)OC[C@@H]1CNC(=O)O1.[Na+].
What is the InChIKey of sodium (2S)-2-hydroxy-4-oxo-4-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy]butanoic acid?
The InChIKey is UJBJIJQFEIKHHQ-FHAQVOQBSA-N. The full InChI is InChI=1S/C8H11NO7.Na/c10-5(7(12)13)1-6(11)15-3-4-2-9-8(14)16-4;/h4-5,10H,1-3H2,(H,9,14)(H,12,13);/q;+1/t4-,5-;/m0./s1.
What are the key properties of sodium (2S)-2-hydroxy-4-oxo-4-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy]butanoic acid?
sodium (2S)-2-hydroxy-4-oxo-4-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy]butanoic acid has a molecular weight of 256.17 g/mol, XLogP of -4.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2S)-2-hydroxy-4-oxo-4-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy]butanoic acid is sourced from PubChem (CID 162324369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).