(5,5-diethyl-3-methyl-6-oxomorpholin-3-yl)methyl 2,2-dimethylpropanoate

C15H27NO4 — CID 18760490

IUPAC(5,5-diethyl-3-methyl-6-oxomorpholin-3-yl)methyl 2,2-dimethylpropanoate
SMILESCCC1(CC)NC(C)(COC(=O)C(C)(C)C)COC1=O
InChIInChI=1S/C15H27NO4/c1-7-15(8-2)12(18)20-10-14(6,16-15)9-19-11(17)13(3,4)5/h16H,7-10H2,1-6H3
InChIKeyBTSDTBBXGVOIDN-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.04
Rot. Bonds4

About (5,5-diethyl-3-methyl-6-oxomorpholin-3-yl)methyl 2,2-dimethylpropanoate

(5,5-diethyl-3-methyl-6-oxomorpholin-3-yl)methyl 2,2-dimethylpropanoate (PubChem CID 18760490) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is (5,5-diethyl-3-methyl-6-oxomorpholin-3-yl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(5,5-diethyl-3-methyl-6-oxomorpholin-3-yl)methyl 2,2-dimethylpropanoate
PubChem CID18760490
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name(5,5-diethyl-3-methyl-6-oxomorpholin-3-yl)methyl 2,2-dimethylpropanoate
SMILESCCC1(CC)NC(C)(COC(=O)C(C)(C)C)COC1=O
InChIInChI=1S/C15H27NO4/c1-7-15(8-2)12(18)20-10-14(6,16-15)9-19-11(17)13(3,4)5/h16H,7-10H2,1-6H3
InChIKeyBTSDTBBXGVOIDN-UHFFFAOYSA-N
XLogP2.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5,5-diethyl-3-methyl-6-oxomorpholin-3-yl)methyl 2,2-dimethylpropanoate?
The IUPAC name of (5,5-diethyl-3-methyl-6-oxomorpholin-3-yl)methyl 2,2-dimethylpropanoate (CID 18760490) is (5,5-diethyl-3-methyl-6-oxomorpholin-3-yl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (5,5-diethyl-3-methyl-6-oxomorpholin-3-yl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (5,5-diethyl-3-methyl-6-oxomorpholin-3-yl)methyl 2,2-dimethylpropanoate is CCC1(CC)NC(C)(COC(=O)C(C)(C)C)COC1=O.
What is the InChIKey of (5,5-diethyl-3-methyl-6-oxomorpholin-3-yl)methyl 2,2-dimethylpropanoate?
The InChIKey is BTSDTBBXGVOIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-7-15(8-2)12(18)20-10-14(6,16-15)9-19-11(17)13(3,4)5/h16H,7-10H2,1-6H3.
What are the key properties of (5,5-diethyl-3-methyl-6-oxomorpholin-3-yl)methyl 2,2-dimethylpropanoate?
(5,5-diethyl-3-methyl-6-oxomorpholin-3-yl)methyl 2,2-dimethylpropanoate has a molecular weight of 285.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-diethyl-3-methyl-6-oxomorpholin-3-yl)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 18760490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).