tert-butyl 2-(5-methylidene-2-oxo-1,3-oxazolidin-4-yl)acetate

C10H15NO4 — CID 90712770

IUPACtert-butyl 2-(5-methylidene-2-oxo-1,3-oxazolidin-4-yl)acetate
SMILESC=C1OC(=O)NC1CC(=O)OC(C)(C)C
InChIInChI=1S/C10H15NO4/c1-6-7(11-9(13)14-6)5-8(12)15-10(2,3)4/h7H,1,5H2,2-4H3,(H,11,13)
InChIKeyIYFRNJPILBPJSY-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.34
Rot. Bonds2

About tert-butyl 2-(5-methylidene-2-oxo-1,3-oxazolidin-4-yl)acetate

tert-butyl 2-(5-methylidene-2-oxo-1,3-oxazolidin-4-yl)acetate (PubChem CID 90712770) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is tert-butyl 2-(5-methylidene-2-oxo-1,3-oxazolidin-4-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(5-methylidene-2-oxo-1,3-oxazolidin-4-yl)acetate
PubChem CID90712770
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nametert-butyl 2-(5-methylidene-2-oxo-1,3-oxazolidin-4-yl)acetate
SMILESC=C1OC(=O)NC1CC(=O)OC(C)(C)C
InChIInChI=1S/C10H15NO4/c1-6-7(11-9(13)14-6)5-8(12)15-10(2,3)4/h7H,1,5H2,2-4H3,(H,11,13)
InChIKeyIYFRNJPILBPJSY-UHFFFAOYSA-N
XLogP1.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(4S)-2-hydroxy-5-oxo-1,3-oxazolidin-4-yl]acetate
CID 59561906
methyl (2S,5R)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 57118426
tert-butyl 2-(4-hydroxycyclohexyl)acetate
CID 18919465
tert-butyl 2-(2,3-dioxocyclopentyl)acetate
CID 91496821
tert-butyl 2-[(1S)-3-oxocyclohexyl]acetate
CID 141145832
tert-butyl 2-(4-formylcyclohexyl)acetate
CID 86602219
tert-butyl 2-[(5S,24S)-24-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,7,10,19,22,25-hexaoxo-3,6,8,11,18,21,23,26-octazatricyclo[26.2.2.213,16]tetratriaconta-1(31),13,15,28(32),29,33-hexaen-5-yl]acetate
CID 12061606
tert-butyl 2-(2-oxo-3-prop-2-ynylcyclopentyl)acetate
CID 122443653
tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate
CID 122670979
tert-butyl 2-[(3R)-4-oxo-5-prop-2-enyloxan-3-yl]acetate
CID 134167886
tert-butyl 2-(3-methyl-2,4-dioxocyclohexyl)acetate
CID 23253643
tert-butyl 2-(6-ethyl-2-oxo-1,3-dioxan-4-yl)acetate
CID 142258058

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-methylidene-2-oxo-1,3-oxazolidin-4-yl)acetate?
The IUPAC name of tert-butyl 2-(5-methylidene-2-oxo-1,3-oxazolidin-4-yl)acetate (CID 90712770) is tert-butyl 2-(5-methylidene-2-oxo-1,3-oxazolidin-4-yl)acetate.
What is the SMILES notation for tert-butyl 2-(5-methylidene-2-oxo-1,3-oxazolidin-4-yl)acetate?
The canonical SMILES for tert-butyl 2-(5-methylidene-2-oxo-1,3-oxazolidin-4-yl)acetate is C=C1OC(=O)NC1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(5-methylidene-2-oxo-1,3-oxazolidin-4-yl)acetate?
The InChIKey is IYFRNJPILBPJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-6-7(11-9(13)14-6)5-8(12)15-10(2,3)4/h7H,1,5H2,2-4H3,(H,11,13).
What are the key properties of tert-butyl 2-(5-methylidene-2-oxo-1,3-oxazolidin-4-yl)acetate?
tert-butyl 2-(5-methylidene-2-oxo-1,3-oxazolidin-4-yl)acetate has a molecular weight of 213.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-methylidene-2-oxo-1,3-oxazolidin-4-yl)acetate is sourced from PubChem (CID 90712770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).