2,2-diethyl-4-[(1-methoxy-2-methylpropan-2-yl)amino]-4-oxobutanoic acid

C13H25NO4 — CID 113470258

IUPAC2,2-diethyl-4-[(1-methoxy-2-methylpropan-2-yl)amino]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NC(C)(C)COC)C(=O)O
InChIInChI=1S/C13H25NO4/c1-6-13(7-2,11(16)17)8-10(15)14-12(3,4)9-18-5/h6-9H2,1-5H3,(H,14,15)(H,16,17)
InChIKeyNVSHEYPJZNZYTD-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.81
Rot. Bonds8

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

2,2-diethyl-4-[(1-methoxy-2-methylpropan-2-yl)amino]-4-oxobutanoic acid (PubChem CID 113470258) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2,2-diethyl-4-[(1-methoxy-2-methylpropan-2-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-diethyl-4-[(1-methoxy-2-methylpropan-2-yl)amino]-4-oxobutanoic acid
PubChem CID113470258
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2,2-diethyl-4-[(1-methoxy-2-methylpropan-2-yl)amino]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NC(C)(C)COC)C(=O)O
InChIInChI=1S/C13H25NO4/c1-6-13(7-2,11(16)17)8-10(15)14-12(3,4)9-18-5/h6-9H2,1-5H3,(H,14,15)(H,16,17)
InChIKeyNVSHEYPJZNZYTD-UHFFFAOYSA-N
XLogP1.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethyl-4-(2-methoxyethylamino)-4-oxobutanoic acid
CID 43529310
2,2-diethyl-4-[(2-methoxy-2-oxoethyl)amino]-4-oxobutanoic acid
CID 54867747
2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-(methoxymethyl)butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]-2-(methoxymethyl)butanoic acid
CID 162457918
2,2-dimethyl-4-(2-methylbutan-2-ylamino)-4-oxobutanoic acid
CID 65297658
4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid
CID 43529328
2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid
CID 115910285
2,2-diethyl-4-oxo-4-(2,2,2-trifluoroethylamino)butanoic acid
CID 43529729
1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea
CID 115690657
1-(1-methoxy-2-methylpropan-2-yl)-3-methylurea
CID 115690659
2-(methoxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 106487684
2,2-diethyl-4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid
CID 60941337
N-(1-methoxy-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 115624599

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-[(1-methoxy-2-methylpropan-2-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 2,2-diethyl-4-[(1-methoxy-2-methylpropan-2-yl)amino]-4-oxobutanoic acid (CID 113470258) is 2,2-diethyl-4-[(1-methoxy-2-methylpropan-2-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-diethyl-4-[(1-methoxy-2-methylpropan-2-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-diethyl-4-[(1-methoxy-2-methylpropan-2-yl)amino]-4-oxobutanoic acid is CCC(CC)(CC(=O)NC(C)(C)COC)C(=O)O.
What is the InChIKey of 2,2-diethyl-4-[(1-methoxy-2-methylpropan-2-yl)amino]-4-oxobutanoic acid?
The InChIKey is NVSHEYPJZNZYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-6-13(7-2,11(16)17)8-10(15)14-12(3,4)9-18-5/h6-9H2,1-5H3,(H,14,15)(H,16,17).
What are the key properties of 2,2-diethyl-4-[(1-methoxy-2-methylpropan-2-yl)amino]-4-oxobutanoic acid?
2,2-diethyl-4-[(1-methoxy-2-methylpropan-2-yl)amino]-4-oxobutanoic acid has a molecular weight of 259.35 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-[(1-methoxy-2-methylpropan-2-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 113470258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).