sodium 2-[(4S)-4-(N-acetyl-2-hydroxyanilino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate

C16H15N2NaO8 — CID 67906057

IUPACsodium 2-[(4S)-4-(N-acetyl-2-hydroxyanilino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
SMILESCC(=O)N(c1ccccc1O)[C@H]1CON(C2(C(=O)[O-])CCC(=O)O2)C1=O.[Na+]
InChIInChI=1S/C16H16N2O8.Na/c1-9(19)17(10-4-2-3-5-12(10)20)11-8-25-18(14(11)22)16(15(23)24)7-6-13(21)26-16;/h2-5,11,20H,6-8H2,1H3,(H,23,24);/q;+1/p-1/t11-,16?;/m0./s1
InChIKeyNQCIBNQRSAXMBR-NTXTZHDZSA-M
MW386.29 g/mol
LogP-4.33
Rot. Bonds4

About sodium 2-[(4S)-4-(N-acetyl-2-hydroxyanilino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate

sodium 2-[(4S)-4-(N-acetyl-2-hydroxyanilino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate (PubChem CID 67906057) has the molecular formula C16H15N2NaO8 and a molecular weight of 386.29 g/mol. Its IUPAC name is sodium 2-[(4S)-4-(N-acetyl-2-hydroxyanilino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Namesodium 2-[(4S)-4-(N-acetyl-2-hydroxyanilino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
PubChem CID67906057
Molecular FormulaC16H15N2NaO8
Molecular Weight386.29 g/mol
Exact Mass386.07
IUPAC Namesodium 2-[(4S)-4-(N-acetyl-2-hydroxyanilino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
SMILESCC(=O)N(c1ccccc1O)[C@H]1CON(C2(C(=O)[O-])CCC(=O)O2)C1=O.[Na+]
InChIInChI=1S/C16H16N2O8.Na/c1-9(19)17(10-4-2-3-5-12(10)20)11-8-25-18(14(11)22)16(15(23)24)7-6-13(21)26-16;/h2-5,11,20H,6-8H2,1H3,(H,23,24);/q;+1/p-1/t11-,16?;/m0./s1
InChIKeyNQCIBNQRSAXMBR-NTXTZHDZSA-M
XLogP-4.33
TPSA136.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 5-4.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of sodium 2-[(4S)-4-(N-acetyl-2-hydroxyanilino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
The IUPAC name of sodium 2-[(4S)-4-(N-acetyl-2-hydroxyanilino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate (CID 67906057) is sodium 2-[(4S)-4-(N-acetyl-2-hydroxyanilino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate.
What is the SMILES notation for sodium 2-[(4S)-4-(N-acetyl-2-hydroxyanilino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
The canonical SMILES for sodium 2-[(4S)-4-(N-acetyl-2-hydroxyanilino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate is CC(=O)N(c1ccccc1O)[C@H]1CON(C2(C(=O)[O-])CCC(=O)O2)C1=O.[Na+].
What is the InChIKey of sodium 2-[(4S)-4-(N-acetyl-2-hydroxyanilino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
The InChIKey is NQCIBNQRSAXMBR-NTXTZHDZSA-M. The full InChI is InChI=1S/C16H16N2O8.Na/c1-9(19)17(10-4-2-3-5-12(10)20)11-8-25-18(14(11)22)16(15(23)24)7-6-13(21)26-16;/h2-5,11,20H,6-8H2,1H3,(H,23,24);/q;+1/p-1/t11-,16?;/m0./s1.
What are the key properties of sodium 2-[(4S)-4-(N-acetyl-2-hydroxyanilino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
sodium 2-[(4S)-4-(N-acetyl-2-hydroxyanilino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate has a molecular weight of 386.29 g/mol, XLogP of -4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[(4S)-4-(N-acetyl-2-hydroxyanilino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 67906057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).