methyl 3-methyl-4-oxo-4-(3-oxobutan-2-ylamino)butanoate

C10H17NO4 — CID 20714317

IUPACmethyl 3-methyl-4-oxo-4-(3-oxobutan-2-ylamino)butanoate
SMILESCOC(=O)CC(C)C(=O)NC(C)C(C)=O
InChIInChI=1S/C10H17NO4/c1-6(5-9(13)15-4)10(14)11-7(2)8(3)12/h6-7H,5H2,1-4H3,(H,11,14)
InChIKeyOYKRWNWGJRNFOA-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.28
Rot. Bonds5

About methyl 3-methyl-4-oxo-4-(3-oxobutan-2-ylamino)butanoate

methyl 3-methyl-4-oxo-4-(3-oxobutan-2-ylamino)butanoate (PubChem CID 20714317) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 3-methyl-4-oxo-4-(3-oxobutan-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-4-oxo-4-(3-oxobutan-2-ylamino)butanoate
PubChem CID20714317
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl 3-methyl-4-oxo-4-(3-oxobutan-2-ylamino)butanoate
SMILESCOC(=O)CC(C)C(=O)NC(C)C(C)=O
InChIInChI=1S/C10H17NO4/c1-6(5-9(13)15-4)10(14)11-7(2)8(3)12/h6-7H,5H2,1-4H3,(H,11,14)
InChIKeyOYKRWNWGJRNFOA-UHFFFAOYSA-N
XLogP0.28
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-oxo-4-(3-oxobutan-2-ylamino)butanoate?
The IUPAC name of methyl 3-methyl-4-oxo-4-(3-oxobutan-2-ylamino)butanoate (CID 20714317) is methyl 3-methyl-4-oxo-4-(3-oxobutan-2-ylamino)butanoate.
What is the SMILES notation for methyl 3-methyl-4-oxo-4-(3-oxobutan-2-ylamino)butanoate?
The canonical SMILES for methyl 3-methyl-4-oxo-4-(3-oxobutan-2-ylamino)butanoate is COC(=O)CC(C)C(=O)NC(C)C(C)=O.
What is the InChIKey of methyl 3-methyl-4-oxo-4-(3-oxobutan-2-ylamino)butanoate?
The InChIKey is OYKRWNWGJRNFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-6(5-9(13)15-4)10(14)11-7(2)8(3)12/h6-7H,5H2,1-4H3,(H,11,14).
What are the key properties of methyl 3-methyl-4-oxo-4-(3-oxobutan-2-ylamino)butanoate?
methyl 3-methyl-4-oxo-4-(3-oxobutan-2-ylamino)butanoate has a molecular weight of 215.25 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-4-oxo-4-(3-oxobutan-2-ylamino)butanoate is sourced from PubChem (CID 20714317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).