2,2-diethyl-4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid

C14H25NO5 — CID 60941337

IUPAC2,2-diethyl-4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NC(C(=O)OC)C(C)C)C(=O)O
InChIInChI=1S/C14H25NO5/c1-6-14(7-2,13(18)19)8-10(16)15-11(9(3)4)12(17)20-5/h9,11H,6-8H2,1-5H3,(H,15,16)(H,18,19)
InChIKeyVHULFJAVICITEP-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.58
Rot. Bonds8

About 2,2-diethyl-4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid

2,2-diethyl-4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid (PubChem CID 60941337) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2,2-diethyl-4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-diethyl-4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid
PubChem CID60941337
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name2,2-diethyl-4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NC(C(=O)OC)C(C)C)C(=O)O
InChIInChI=1S/C14H25NO5/c1-6-14(7-2,13(18)19)8-10(16)15-11(9(3)4)12(17)20-5/h9,11H,6-8H2,1-5H3,(H,15,16)(H,18,19)
InChIKeyVHULFJAVICITEP-UHFFFAOYSA-N
XLogP1.58
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 2,2-diethyl-4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid (CID 60941337) is 2,2-diethyl-4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-diethyl-4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-diethyl-4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid is CCC(CC)(CC(=O)NC(C(=O)OC)C(C)C)C(=O)O.
What is the InChIKey of 2,2-diethyl-4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid?
The InChIKey is VHULFJAVICITEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-6-14(7-2,13(18)19)8-10(16)15-11(9(3)4)12(17)20-5/h9,11H,6-8H2,1-5H3,(H,15,16)(H,18,19).
What are the key properties of 2,2-diethyl-4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid?
2,2-diethyl-4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid has a molecular weight of 287.36 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 60941337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).