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

C12H15N2NaO8 — CID 67906110

IUPACsodium 2-[(4S)-4-[(2-hydroxy-2-methylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
SMILESCC(C)(O)C(=O)N[C@H]1CON(C2(C(=O)[O-])CCC(=O)O2)C1=O.[Na+]
InChIInChI=1S/C12H16N2O8.Na/c1-11(2,20)9(17)13-6-5-21-14(8(6)16)12(10(18)19)4-3-7(15)22-12;/h6,20H,3-5H2,1-2H3,(H,13,17)(H,18,19);/q;+1/p-1/t6-,12?;/m0./s1
InChIKeyCLERCNUUBZFZBM-BWECZUFWSA-M
MW338.25 g/mol
LogP-6.20
Rot. Bonds4

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

sodium 2-[(4S)-4-[(2-hydroxy-2-methylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate (PubChem CID 67906110) has the molecular formula C12H15N2NaO8 and a molecular weight of 338.25 g/mol. Its IUPAC name is sodium 2-[(4S)-4-[(2-hydroxy-2-methylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Namesodium 2-[(4S)-4-[(2-hydroxy-2-methylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
PubChem CID67906110
Molecular FormulaC12H15N2NaO8
Molecular Weight338.25 g/mol
Exact Mass338.07
IUPAC Namesodium 2-[(4S)-4-[(2-hydroxy-2-methylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
SMILESCC(C)(O)C(=O)N[C@H]1CON(C2(C(=O)[O-])CCC(=O)O2)C1=O.[Na+]
InChIInChI=1S/C12H16N2O8.Na/c1-11(2,20)9(17)13-6-5-21-14(8(6)16)12(10(18)19)4-3-7(15)22-12;/h6,20H,3-5H2,1-2H3,(H,13,17)(H,18,19);/q;+1/p-1/t6-,12?;/m0./s1
InChIKeyCLERCNUUBZFZBM-BWECZUFWSA-M
XLogP-6.20
TPSA145.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 5-6.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of sodium 2-[(4S)-4-[(2-hydroxy-2-methylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
The IUPAC name of sodium 2-[(4S)-4-[(2-hydroxy-2-methylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate (CID 67906110) is sodium 2-[(4S)-4-[(2-hydroxy-2-methylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate.
What is the SMILES notation for sodium 2-[(4S)-4-[(2-hydroxy-2-methylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
The canonical SMILES for sodium 2-[(4S)-4-[(2-hydroxy-2-methylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate is CC(C)(O)C(=O)N[C@H]1CON(C2(C(=O)[O-])CCC(=O)O2)C1=O.[Na+].
What is the InChIKey of sodium 2-[(4S)-4-[(2-hydroxy-2-methylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
The InChIKey is CLERCNUUBZFZBM-BWECZUFWSA-M. The full InChI is InChI=1S/C12H16N2O8.Na/c1-11(2,20)9(17)13-6-5-21-14(8(6)16)12(10(18)19)4-3-7(15)22-12;/h6,20H,3-5H2,1-2H3,(H,13,17)(H,18,19);/q;+1/p-1/t6-,12?;/m0./s1.
What are the key properties of sodium 2-[(4S)-4-[(2-hydroxy-2-methylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
sodium 2-[(4S)-4-[(2-hydroxy-2-methylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate has a molecular weight of 338.25 g/mol, XLogP of -6.20, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[(4S)-4-[(2-hydroxy-2-methylpropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 67906110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).