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

C11H11N2NaO9 — CID 23696128

IUPACsodium 2-[(4S)-4-[(2-methoxy-2-oxoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
SMILESCOC(=O)C(=O)N[C@H]1CON(C2(C(=O)[O-])CCC(=O)O2)C1=O.[Na+]
InChIInChI=1S/C11H12N2O9.Na/c1-20-9(17)7(15)12-5-4-21-13(8(5)16)11(10(18)19)3-2-6(14)22-11;/h5H,2-4H2,1H3,(H,12,15)(H,18,19);/q;+1/p-1/t5-,11?;/m0./s1
InChIKeyKDIGZJPNQSIFTI-IXCFPDSISA-M
MW338.20 g/mol
LogP-6.79
Rot. Bonds3

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

sodium 2-[(4S)-4-[(2-methoxy-2-oxoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate (PubChem CID 23696128) has the molecular formula C11H11N2NaO9 and a molecular weight of 338.20 g/mol. Its IUPAC name is sodium 2-[(4S)-4-[(2-methoxy-2-oxoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Namesodium 2-[(4S)-4-[(2-methoxy-2-oxoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
PubChem CID23696128
Molecular FormulaC11H11N2NaO9
Molecular Weight338.20 g/mol
Exact Mass338.04
IUPAC Namesodium 2-[(4S)-4-[(2-methoxy-2-oxoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
SMILESCOC(=O)C(=O)N[C@H]1CON(C2(C(=O)[O-])CCC(=O)O2)C1=O.[Na+]
InChIInChI=1S/C11H12N2O9.Na/c1-20-9(17)7(15)12-5-4-21-13(8(5)16)11(10(18)19)3-2-6(14)22-11;/h5H,2-4H2,1H3,(H,12,15)(H,18,19);/q;+1/p-1/t5-,11?;/m0./s1
InChIKeyKDIGZJPNQSIFTI-IXCFPDSISA-M
XLogP-6.79
TPSA151.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 5-6.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 2-[(4S)-4-[(2-methoxy-2-oxoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
The IUPAC name of sodium 2-[(4S)-4-[(2-methoxy-2-oxoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate (CID 23696128) is sodium 2-[(4S)-4-[(2-methoxy-2-oxoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate.
What is the SMILES notation for sodium 2-[(4S)-4-[(2-methoxy-2-oxoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
The canonical SMILES for sodium 2-[(4S)-4-[(2-methoxy-2-oxoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate is COC(=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-methoxy-2-oxoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
The InChIKey is KDIGZJPNQSIFTI-IXCFPDSISA-M. The full InChI is InChI=1S/C11H12N2O9.Na/c1-20-9(17)7(15)12-5-4-21-13(8(5)16)11(10(18)19)3-2-6(14)22-11;/h5H,2-4H2,1H3,(H,12,15)(H,18,19);/q;+1/p-1/t5-,11?;/m0./s1.
What are the key properties of sodium 2-[(4S)-4-[(2-methoxy-2-oxoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
sodium 2-[(4S)-4-[(2-methoxy-2-oxoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate has a molecular weight of 338.20 g/mol, XLogP of -6.79, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[(4S)-4-[(2-methoxy-2-oxoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 23696128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).