methyl 3-[(4-methoxy-3,3-dimethyl-4-oxobutanoyl)amino]-2,2,3-trimethylbutanoate

C15H27NO5 — CID 21357708

IUPACmethyl 3-[(4-methoxy-3,3-dimethyl-4-oxobutanoyl)amino]-2,2,3-trimethylbutanoate
SMILESCOC(=O)C(C)(C)CC(=O)NC(C)(C)C(C)(C)C(=O)OC
InChIInChI=1S/C15H27NO5/c1-13(2,11(18)20-7)9-10(17)16-15(5,6)14(3,4)12(19)21-8/h9H2,1-8H3,(H,16,17)
InChIKeyKYYMHYVJQUBVPT-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.67
Rot. Bonds6

About methyl 3-[(4-methoxy-3,3-dimethyl-4-oxobutanoyl)amino]-2,2,3-trimethylbutanoate

methyl 3-[(4-methoxy-3,3-dimethyl-4-oxobutanoyl)amino]-2,2,3-trimethylbutanoate (PubChem CID 21357708) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is methyl 3-[(4-methoxy-3,3-dimethyl-4-oxobutanoyl)amino]-2,2,3-trimethylbutanoate.

Molecular Properties

Compound Namemethyl 3-[(4-methoxy-3,3-dimethyl-4-oxobutanoyl)amino]-2,2,3-trimethylbutanoate
PubChem CID21357708
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Namemethyl 3-[(4-methoxy-3,3-dimethyl-4-oxobutanoyl)amino]-2,2,3-trimethylbutanoate
SMILESCOC(=O)C(C)(C)CC(=O)NC(C)(C)C(C)(C)C(=O)OC
InChIInChI=1S/C15H27NO5/c1-13(2,11(18)20-7)9-10(17)16-15(5,6)14(3,4)12(19)21-8/h9H2,1-8H3,(H,16,17)
InChIKeyKYYMHYVJQUBVPT-UHFFFAOYSA-N
XLogP1.67
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methoxy-3,3-dimethyl-4-oxobutanoyl)amino]-2,2,3-trimethylbutanoate?
The IUPAC name of methyl 3-[(4-methoxy-3,3-dimethyl-4-oxobutanoyl)amino]-2,2,3-trimethylbutanoate (CID 21357708) is methyl 3-[(4-methoxy-3,3-dimethyl-4-oxobutanoyl)amino]-2,2,3-trimethylbutanoate.
What is the SMILES notation for methyl 3-[(4-methoxy-3,3-dimethyl-4-oxobutanoyl)amino]-2,2,3-trimethylbutanoate?
The canonical SMILES for methyl 3-[(4-methoxy-3,3-dimethyl-4-oxobutanoyl)amino]-2,2,3-trimethylbutanoate is COC(=O)C(C)(C)CC(=O)NC(C)(C)C(C)(C)C(=O)OC.
What is the InChIKey of methyl 3-[(4-methoxy-3,3-dimethyl-4-oxobutanoyl)amino]-2,2,3-trimethylbutanoate?
The InChIKey is KYYMHYVJQUBVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-13(2,11(18)20-7)9-10(17)16-15(5,6)14(3,4)12(19)21-8/h9H2,1-8H3,(H,16,17).
What are the key properties of methyl 3-[(4-methoxy-3,3-dimethyl-4-oxobutanoyl)amino]-2,2,3-trimethylbutanoate?
methyl 3-[(4-methoxy-3,3-dimethyl-4-oxobutanoyl)amino]-2,2,3-trimethylbutanoate has a molecular weight of 301.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methoxy-3,3-dimethyl-4-oxobutanoyl)amino]-2,2,3-trimethylbutanoate is sourced from PubChem (CID 21357708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).