methyl (4S)-5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate

C7H9NO5 — CID 11030543

IUPACmethyl (4S)-5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)N1COC(=O)[C@@H]1CC=O
InChIInChI=1S/C7H9NO5/c1-12-7(11)8-4-13-6(10)5(8)2-3-9/h3,5H,2,4H2,1H3/t5-/m0/s1
InChIKeyXYSPGJRNJJXWTF-YFKPBYRVSA-N
MW187.15 g/mol
LogP-0.47
Rot. Bonds2

About methyl (4S)-5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate

methyl (4S)-5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 11030543) has the molecular formula C7H9NO5 and a molecular weight of 187.15 g/mol. Its IUPAC name is methyl (4S)-5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate
PubChem CID11030543
Molecular FormulaC7H9NO5
Molecular Weight187.15 g/mol
Exact Mass187.05
IUPAC Namemethyl (4S)-5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)N1COC(=O)[C@@H]1CC=O
InChIInChI=1S/C7H9NO5/c1-12-7(11)8-4-13-6(10)5(8)2-3-9/h3,5H,2,4H2,1H3/t5-/m0/s1
InChIKeyXYSPGJRNJJXWTF-YFKPBYRVSA-N
XLogP-0.47
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (4S)-5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of methyl (4S)-5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate (CID 11030543) is methyl (4S)-5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for methyl (4S)-5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for methyl (4S)-5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate is COC(=O)N1COC(=O)[C@@H]1CC=O.
What is the InChIKey of methyl (4S)-5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is XYSPGJRNJJXWTF-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9NO5/c1-12-7(11)8-4-13-6(10)5(8)2-3-9/h3,5H,2,4H2,1H3/t5-/m0/s1.
What are the key properties of methyl (4S)-5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate?
methyl (4S)-5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 187.15 g/mol, XLogP of -0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11030543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).