2,2-diethyl-4-[1-methoxypropan-2-yl(methyl)amino]-4-oxobutanoic acid

C13H25NO4 — CID 60948695

IUPAC2,2-diethyl-4-[1-methoxypropan-2-yl(methyl)amino]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)N(C)C(C)COC)C(=O)O
InChIInChI=1S/C13H25NO4/c1-6-13(7-2,12(16)17)8-11(15)14(4)10(3)9-18-5/h10H,6-9H2,1-5H3,(H,16,17)
InChIKeyHNCCCZMTUFDCAV-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.76
Rot. Bonds8

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

2,2-diethyl-4-[1-methoxypropan-2-yl(methyl)amino]-4-oxobutanoic acid (PubChem CID 60948695) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2,2-diethyl-4-[1-methoxypropan-2-yl(methyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-diethyl-4-[1-methoxypropan-2-yl(methyl)amino]-4-oxobutanoic acid
PubChem CID60948695
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2,2-diethyl-4-[1-methoxypropan-2-yl(methyl)amino]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)N(C)C(C)COC)C(=O)O
InChIInChI=1S/C13H25NO4/c1-6-13(7-2,12(16)17)8-11(15)14(4)10(3)9-18-5/h10H,6-9H2,1-5H3,(H,16,17)
InChIKeyHNCCCZMTUFDCAV-UHFFFAOYSA-N
XLogP1.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutanoic acid
CID 104551496
4-[1-methoxypropan-2-yl(methyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 60949595
4-[1-cyanopropan-2-yl(methyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 63223026
5-[1-methoxypropan-2-yl(methyl)amino]-5-oxopentanoic acid
CID 60949459
2-[1-methoxypropan-2-yl(methyl)amino]-2-methylbutanoic acid
CID 114995148
4-chloro-N-(1-methoxypropan-2-yl)-N-methylbutanamide
CID 63307610
2,2-diethyl-4-[ethyl(2-methylpropyl)amino]-4-oxobutanoic acid
CID 43437635
5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpentanamide
CID 79198964
N-(1-methoxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957945
2,2-diethyl-4-[2-hydroxyethyl(propan-2-yl)amino]-4-oxobutanoic acid
CID 43578399
4-amino-3-methoxy-N-(1-methoxypropan-2-yl)-N-methylbutanamide
CID 103155184
3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid
CID 62271402

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-[1-methoxypropan-2-yl(methyl)amino]-4-oxobutanoic acid?
The IUPAC name of 2,2-diethyl-4-[1-methoxypropan-2-yl(methyl)amino]-4-oxobutanoic acid (CID 60948695) is 2,2-diethyl-4-[1-methoxypropan-2-yl(methyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-diethyl-4-[1-methoxypropan-2-yl(methyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-diethyl-4-[1-methoxypropan-2-yl(methyl)amino]-4-oxobutanoic acid is CCC(CC)(CC(=O)N(C)C(C)COC)C(=O)O.
What is the InChIKey of 2,2-diethyl-4-[1-methoxypropan-2-yl(methyl)amino]-4-oxobutanoic acid?
The InChIKey is HNCCCZMTUFDCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-6-13(7-2,12(16)17)8-11(15)14(4)10(3)9-18-5/h10H,6-9H2,1-5H3,(H,16,17).
What are the key properties of 2,2-diethyl-4-[1-methoxypropan-2-yl(methyl)amino]-4-oxobutanoic acid?
2,2-diethyl-4-[1-methoxypropan-2-yl(methyl)amino]-4-oxobutanoic acid has a molecular weight of 259.35 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-[1-methoxypropan-2-yl(methyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 60948695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).