4-(2,3-dimethoxypropoxy)-3-(methylamino)-4-oxobutanoic acid

C10H19NO6 — CID 59863116

IUPAC4-(2,3-dimethoxypropoxy)-3-(methylamino)-4-oxobutanoic acid
SMILESCNC(CC(=O)O)C(=O)OCC(COC)OC
InChIInChI=1S/C10H19NO6/c1-11-8(4-9(12)13)10(14)17-6-7(16-3)5-15-2/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyCDXDLZABOPANDS-UHFFFAOYSA-N
MW249.26 g/mol
LogP-0.75
Rot. Bonds9

About 4-(2,3-dimethoxypropoxy)-3-(methylamino)-4-oxobutanoic acid

4-(2,3-dimethoxypropoxy)-3-(methylamino)-4-oxobutanoic acid (PubChem CID 59863116) has the molecular formula C10H19NO6 and a molecular weight of 249.26 g/mol. Its IUPAC name is 4-(2,3-dimethoxypropoxy)-3-(methylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2,3-dimethoxypropoxy)-3-(methylamino)-4-oxobutanoic acid
PubChem CID59863116
Molecular FormulaC10H19NO6
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name4-(2,3-dimethoxypropoxy)-3-(methylamino)-4-oxobutanoic acid
SMILESCNC(CC(=O)O)C(=O)OCC(COC)OC
InChIInChI=1S/C10H19NO6/c1-11-8(4-9(12)13)10(14)17-6-7(16-3)5-15-2/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyCDXDLZABOPANDS-UHFFFAOYSA-N
XLogP-0.75
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxypropoxy)-3-(methylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(2,3-dimethoxypropoxy)-3-(methylamino)-4-oxobutanoic acid (CID 59863116) is 4-(2,3-dimethoxypropoxy)-3-(methylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(2,3-dimethoxypropoxy)-3-(methylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(2,3-dimethoxypropoxy)-3-(methylamino)-4-oxobutanoic acid is CNC(CC(=O)O)C(=O)OCC(COC)OC.
What is the InChIKey of 4-(2,3-dimethoxypropoxy)-3-(methylamino)-4-oxobutanoic acid?
The InChIKey is CDXDLZABOPANDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6/c1-11-8(4-9(12)13)10(14)17-6-7(16-3)5-15-2/h7-8,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 4-(2,3-dimethoxypropoxy)-3-(methylamino)-4-oxobutanoic acid?
4-(2,3-dimethoxypropoxy)-3-(methylamino)-4-oxobutanoic acid has a molecular weight of 249.26 g/mol, XLogP of -0.75, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxypropoxy)-3-(methylamino)-4-oxobutanoic acid is sourced from PubChem (CID 59863116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).