4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid

C10H19NO4 — CID 103497960

IUPAC4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCOCCN(C)C(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-7(8(2)10(13)14)9(12)11(3)5-6-15-4/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyBYPTVIVQZXTYHE-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.45
Rot. Bonds6

About 4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid

4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103497960) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103497960
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCOCCN(C)C(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-7(8(2)10(13)14)9(12)11(3)5-6-15-4/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyBYPTVIVQZXTYHE-UHFFFAOYSA-N
XLogP0.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 3146690
1-(1-Methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 4777965
5-Oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid
CID 50979122
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic-13C acid
CID 172418871
4-[3-Ethoxypropyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497752
4-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497906
4-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 107478950
1,4,7,10-Tetraoxa-13-azacyclopentadecane-13-butanoic acid, gamma-oxo-
CID 545802
4-[2-Hydroxyethyl(propyl)amino]-4-oxobutanoic acid
CID 20722179
2,3-Dimethyl-4-morpholin-4-yl-4-oxobutanoic acid
CID 21025679
4-[2-[2-[2-[2-(Dimethylamino)ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid
CID 23377101
4-[Bis(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 43399812

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid (CID 103497960) is 4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid is COCCN(C)C(=O)C(C)C(C)C(=O)O.
What is the InChIKey of 4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is BYPTVIVQZXTYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-7(8(2)10(13)14)9(12)11(3)5-6-15-4/h7-8H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103497960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).