2-[(4S)-4-(dimethylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid

C10H14N2O6 — CID 14096184

IUPAC2-[(4S)-4-(dimethylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
SMILESCN(C)[C@H]1CON(C2(C(=O)O)CCC(=O)O2)C1=O
InChIInChI=1S/C10H14N2O6/c1-11(2)6-5-17-12(8(6)14)10(9(15)16)4-3-7(13)18-10/h6H,3-5H2,1-2H3,(H,15,16)/t6-,10?/m0/s1
InChIKeyWQZJKDZPXFEMFJ-UOQJWNSWSA-N
MW258.23 g/mol
LogP-1.19
Rot. Bonds3

About 2-[(4S)-4-(dimethylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid

2-[(4S)-4-(dimethylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid (PubChem CID 14096184) has the molecular formula C10H14N2O6 and a molecular weight of 258.23 g/mol. Its IUPAC name is 2-[(4S)-4-(dimethylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-[(4S)-4-(dimethylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
PubChem CID14096184
Molecular FormulaC10H14N2O6
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC Name2-[(4S)-4-(dimethylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
SMILESCN(C)[C@H]1CON(C2(C(=O)O)CCC(=O)O2)C1=O
InChIInChI=1S/C10H14N2O6/c1-11(2)6-5-17-12(8(6)14)10(9(15)16)4-3-7(13)18-10/h6H,3-5H2,1-2H3,(H,15,16)/t6-,10?/m0/s1
InChIKeyWQZJKDZPXFEMFJ-UOQJWNSWSA-N
XLogP-1.19
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(dimethylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
The IUPAC name of 2-[(4S)-4-(dimethylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid (CID 14096184) is 2-[(4S)-4-(dimethylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid.
What is the SMILES notation for 2-[(4S)-4-(dimethylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
The canonical SMILES for 2-[(4S)-4-(dimethylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid is CN(C)[C@H]1CON(C2(C(=O)O)CCC(=O)O2)C1=O.
What is the InChIKey of 2-[(4S)-4-(dimethylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
The InChIKey is WQZJKDZPXFEMFJ-UOQJWNSWSA-N. The full InChI is InChI=1S/C10H14N2O6/c1-11(2)6-5-17-12(8(6)14)10(9(15)16)4-3-7(13)18-10/h6H,3-5H2,1-2H3,(H,15,16)/t6-,10?/m0/s1.
What are the key properties of 2-[(4S)-4-(dimethylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
2-[(4S)-4-(dimethylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid has a molecular weight of 258.23 g/mol, XLogP of -1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(dimethylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid is sourced from PubChem (CID 14096184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).