4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid

C10H19NO4 — CID 114940625

IUPAC4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid
SMILESCCOC(C)(C)CNC(=O)CCC(=O)O
InChIInChI=1S/C10H19NO4/c1-4-15-10(2,3)7-11-8(12)5-6-9(13)14/h4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyOQGITOMZPWXZIM-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.78
Rot. Bonds7

About 4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid

4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid (PubChem CID 114940625) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid
PubChem CID114940625
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid
SMILESCCOC(C)(C)CNC(=O)CCC(=O)O
InChIInChI=1S/C10H19NO4/c1-4-15-10(2,3)7-11-8(12)5-6-9(13)14/h4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyOQGITOMZPWXZIM-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxy-2-methylpropyl)butanamide
CID 114944319
4-[(3-ethoxy-3-methylbutyl)amino]-4-oxobutanoic acid
CID 121263526
4-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-oxobutanoic acid
CID 110465776
4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide
CID 114942376
5-[(2-methoxy-2-methylpropyl)amino]-5-oxopentanoic acid
CID 104573930
2-[(2-ethoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid
CID 114943610
3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-4-yl]propanoic acid
CID 114943570
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 106275580
4-[(2-ethoxy-2-methylpropyl)sulfamoyl]butanoic acid
CID 114940682
2-[(2-ethoxy-2-methylpropyl)amino]-N-ethylacetamide
CID 114942015
N-(2-ethoxy-2-methylpropyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 114942287
3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 114943422

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid (CID 114940625) is 4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid is CCOC(C)(C)CNC(=O)CCC(=O)O.
What is the InChIKey of 4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid?
The InChIKey is OQGITOMZPWXZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-15-10(2,3)7-11-8(12)5-6-9(13)14/h4-7H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid?
4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 114940625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).