5-[2-methoxyethyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid

C10H20N2O4 — CID 22969792

IUPAC5-[2-methoxyethyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
SMILESCNC(CC(=O)O)C(=O)CN(C)CCOC
InChIInChI=1S/C10H20N2O4/c1-11-8(6-10(14)15)9(13)7-12(2)4-5-16-3/h8,11H,4-7H2,1-3H3,(H,14,15)
InChIKeyGIPZBYBLOJLOHN-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.80
Rot. Bonds9

About 5-[2-methoxyethyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid

5-[2-methoxyethyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid (PubChem CID 22969792) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-[2-methoxyethyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-methoxyethyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
PubChem CID22969792
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name5-[2-methoxyethyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
SMILESCNC(CC(=O)O)C(=O)CN(C)CCOC
InChIInChI=1S/C10H20N2O4/c1-11-8(6-10(14)15)9(13)7-12(2)4-5-16-3/h8,11H,4-7H2,1-3H3,(H,14,15)
InChIKeyGIPZBYBLOJLOHN-UHFFFAOYSA-N
XLogP-0.80
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-methoxyethyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-Fluorobutyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
CID 22969798
5-[5-Fluoropentyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
CID 22969799
5-[6-Fluorohexyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
CID 22969800
butyl-[2-[(3R,5S)-5-carboxypyrrolidin-3-yl]oxy-2-oxoethyl]-dimethylazanium
CID 23629006
(2S)-2-[[(2S)-5-amino-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid
CID 18600789
3-(Methylamino)-5-[methyl(octyl)amino]-4-oxopentanoic acid
CID 22969759
3-(Methylamino)-5-[methyl(pentyl)amino]-4-oxopentanoic acid
CID 22969760
3-(Methylamino)-5-[methyl(propyl)amino]-4-oxopentanoic acid
CID 22969763
5-[Butyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
CID 22969856
5-[Heptyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
CID 22969860
5-[Hexyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
CID 22969861
3-(Methylamino)-5-[methyl(2-methylpropyl)amino]-4-oxopentanoic acid
CID 22969863

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid?
The IUPAC name of 5-[2-methoxyethyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid (CID 22969792) is 5-[2-methoxyethyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid.
What is the SMILES notation for 5-[2-methoxyethyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid?
The canonical SMILES for 5-[2-methoxyethyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid is CNC(CC(=O)O)C(=O)CN(C)CCOC.
What is the InChIKey of 5-[2-methoxyethyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid?
The InChIKey is GIPZBYBLOJLOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-11-8(6-10(14)15)9(13)7-12(2)4-5-16-3/h8,11H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 5-[2-methoxyethyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid?
5-[2-methoxyethyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid is sourced from PubChem (CID 22969792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).