methyl 4-(4,4-dimethyl-1,3-oxazolidin-3-yl)-4-oxobutanoate

C10H17NO4 — CID 110740604

IUPACmethyl 4-(4,4-dimethyl-1,3-oxazolidin-3-yl)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N1COCC1(C)C
InChIInChI=1S/C10H17NO4/c1-10(2)6-15-7-11(10)8(12)4-5-9(13)14-3/h4-7H2,1-3H3
InChIKeySVLMMUFRBIUZNO-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.53
Rot. Bonds3

About methyl 4-(4,4-dimethyl-1,3-oxazolidin-3-yl)-4-oxobutanoate

methyl 4-(4,4-dimethyl-1,3-oxazolidin-3-yl)-4-oxobutanoate (PubChem CID 110740604) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 4-(4,4-dimethyl-1,3-oxazolidin-3-yl)-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-(4,4-dimethyl-1,3-oxazolidin-3-yl)-4-oxobutanoate
PubChem CID110740604
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl 4-(4,4-dimethyl-1,3-oxazolidin-3-yl)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N1COCC1(C)C
InChIInChI=1S/C10H17NO4/c1-10(2)6-15-7-11(10)8(12)4-5-9(13)14-3/h4-7H2,1-3H3
InChIKeySVLMMUFRBIUZNO-UHFFFAOYSA-N
XLogP0.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4,4-dimethyl-1,3-oxazolidin-3-yl)-4-oxobutanoate?
The IUPAC name of methyl 4-(4,4-dimethyl-1,3-oxazolidin-3-yl)-4-oxobutanoate (CID 110740604) is methyl 4-(4,4-dimethyl-1,3-oxazolidin-3-yl)-4-oxobutanoate.
What is the SMILES notation for methyl 4-(4,4-dimethyl-1,3-oxazolidin-3-yl)-4-oxobutanoate?
The canonical SMILES for methyl 4-(4,4-dimethyl-1,3-oxazolidin-3-yl)-4-oxobutanoate is COC(=O)CCC(=O)N1COCC1(C)C.
What is the InChIKey of methyl 4-(4,4-dimethyl-1,3-oxazolidin-3-yl)-4-oxobutanoate?
The InChIKey is SVLMMUFRBIUZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2)6-15-7-11(10)8(12)4-5-9(13)14-3/h4-7H2,1-3H3.
What are the key properties of methyl 4-(4,4-dimethyl-1,3-oxazolidin-3-yl)-4-oxobutanoate?
methyl 4-(4,4-dimethyl-1,3-oxazolidin-3-yl)-4-oxobutanoate has a molecular weight of 215.25 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4,4-dimethyl-1,3-oxazolidin-3-yl)-4-oxobutanoate is sourced from PubChem (CID 110740604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).