dimethyl 3-ethyl-2-methyl-1,2-oxazolidine-4,5-dicarboxylate

C10H17NO5 — CID 163609628

IUPACdimethyl 3-ethyl-2-methyl-1,2-oxazolidine-4,5-dicarboxylate
SMILESCCC1C(C(=O)OC)C(C(=O)OC)ON1C
InChIInChI=1S/C10H17NO5/c1-5-6-7(9(12)14-3)8(10(13)15-4)16-11(6)2/h6-8H,5H2,1-4H3
InChIKeyHEUCFJAWMZHNGO-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.03
Rot. Bonds3

About dimethyl 3-ethyl-2-methyl-1,2-oxazolidine-4,5-dicarboxylate

dimethyl 3-ethyl-2-methyl-1,2-oxazolidine-4,5-dicarboxylate (PubChem CID 163609628) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is dimethyl 3-ethyl-2-methyl-1,2-oxazolidine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-ethyl-2-methyl-1,2-oxazolidine-4,5-dicarboxylate
PubChem CID163609628
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Namedimethyl 3-ethyl-2-methyl-1,2-oxazolidine-4,5-dicarboxylate
SMILESCCC1C(C(=O)OC)C(C(=O)OC)ON1C
InChIInChI=1S/C10H17NO5/c1-5-6-7(9(12)14-3)8(10(13)15-4)16-11(6)2/h6-8H,5H2,1-4H3
InChIKeyHEUCFJAWMZHNGO-UHFFFAOYSA-N
XLogP-0.03
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-ethyl-2-methyl-1,2-oxazolidine-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-ethyl-2-methyl-1,2-oxazolidine-4,5-dicarboxylate (CID 163609628) is dimethyl 3-ethyl-2-methyl-1,2-oxazolidine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-ethyl-2-methyl-1,2-oxazolidine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-ethyl-2-methyl-1,2-oxazolidine-4,5-dicarboxylate is CCC1C(C(=O)OC)C(C(=O)OC)ON1C.
What is the InChIKey of dimethyl 3-ethyl-2-methyl-1,2-oxazolidine-4,5-dicarboxylate?
The InChIKey is HEUCFJAWMZHNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-5-6-7(9(12)14-3)8(10(13)15-4)16-11(6)2/h6-8H,5H2,1-4H3.
What are the key properties of dimethyl 3-ethyl-2-methyl-1,2-oxazolidine-4,5-dicarboxylate?
dimethyl 3-ethyl-2-methyl-1,2-oxazolidine-4,5-dicarboxylate has a molecular weight of 231.25 g/mol, XLogP of -0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-ethyl-2-methyl-1,2-oxazolidine-4,5-dicarboxylate is sourced from PubChem (CID 163609628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).