sodium (4R)-2-oxo-1,3-oxazolidine-4-carboxylate

C4H4NNaO4 — CID 140773335

IUPACsodium (4R)-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESO=C1N[C@@H](C(=O)[O-])CO1.[Na+]
InChIInChI=1S/C4H5NO4.Na/c6-3(7)2-1-9-4(8)5-2;/h2H,1H2,(H,5,8)(H,6,7);/q;+1/p-1/t2-;/m1./s1
InChIKeyQBLNTKHLAPPBJQ-HSHFZTNMSA-M
MW153.07 g/mol
LogP-5.15
Rot. Bonds1

About sodium (4R)-2-oxo-1,3-oxazolidine-4-carboxylate

sodium (4R)-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 140773335) has the molecular formula C4H4NNaO4 and a molecular weight of 153.07 g/mol. Its IUPAC name is sodium (4R)-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namesodium (4R)-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID140773335
Molecular FormulaC4H4NNaO4
Molecular Weight153.07 g/mol
Exact Mass153.00
IUPAC Namesodium (4R)-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESO=C1N[C@@H](C(=O)[O-])CO1.[Na+]
InChIInChI=1S/C4H5NO4.Na/c6-3(7)2-1-9-4(8)5-2;/h2H,1H2,(H,5,8)(H,6,7);/q;+1/p-1/t2-;/m1./s1
InChIKeyQBLNTKHLAPPBJQ-HSHFZTNMSA-M
XLogP-5.15
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.07
LogP ≤ 5-5.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium (4R)-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of sodium (4R)-2-oxo-1,3-oxazolidine-4-carboxylate (CID 140773335) is sodium (4R)-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for sodium (4R)-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for sodium (4R)-2-oxo-1,3-oxazolidine-4-carboxylate is O=C1N[C@@H](C(=O)[O-])CO1.[Na+].
What is the InChIKey of sodium (4R)-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is QBLNTKHLAPPBJQ-HSHFZTNMSA-M. The full InChI is InChI=1S/C4H5NO4.Na/c6-3(7)2-1-9-4(8)5-2;/h2H,1H2,(H,5,8)(H,6,7);/q;+1/p-1/t2-;/m1./s1.
What are the key properties of sodium (4R)-2-oxo-1,3-oxazolidine-4-carboxylate?
sodium (4R)-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 153.07 g/mol, XLogP of -5.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (4R)-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 140773335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).