4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)butanoic acid

C11H24N2O3 — CID 63009891

IUPAC4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)butanoic acid
SMILESCNC(C)(CCN(C)CCCOC)C(=O)O
InChIInChI=1S/C11H24N2O3/c1-11(12-2,10(14)15)6-8-13(3)7-5-9-16-4/h12H,5-9H2,1-4H3,(H,14,15)
InChIKeyIAPDSBQOQGFMLW-UHFFFAOYSA-N
MW232.32 g/mol
LogP0.41
Rot. Bonds9

About 4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)butanoic acid

4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)butanoic acid (PubChem CID 63009891) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)butanoic acid
PubChem CID63009891
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)butanoic acid
SMILESCNC(C)(CCN(C)CCCOC)C(=O)O
InChIInChI=1S/C11H24N2O3/c1-11(12-2,10(14)15)6-8-13(3)7-5-9-16-4/h12H,5-9H2,1-4H3,(H,14,15)
InChIKeyIAPDSBQOQGFMLW-UHFFFAOYSA-N
XLogP0.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)butanoic 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-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)pentanamide
CID 63007906
6-[3-methoxypropyl(methyl)amino]-2,2-dimethylhexanoic acid
CID 106714036
3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid
CID 63008833
2-(cyclopropylamino)-3-[3-methoxypropyl(methyl)amino]-2-methylpropanoic acid
CID 55141472
2-(cyclopropylamino)-2-ethyl-5-[3-methoxypropyl(methyl)amino]pentanoic acid
CID 106806182
N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine
CID 63008855
4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid
CID 114998801
6-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)hexanamide
CID 63008631
5-[2-methoxyethyl(methyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64825401
2-ethyl-2-[[3-methoxypropyl(methyl)carbamoyl]amino]butanoic acid
CID 79803516
2-methyl-2-(methylamino)-5-(4,4,4-trifluorobutoxy)pentanoic acid
CID 82793311
2-methyl-2-(methylamino)pentadecanoic acid
CID 90221334

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)butanoic acid?
The IUPAC name of 4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)butanoic acid (CID 63009891) is 4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)butanoic acid.
What is the SMILES notation for 4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)butanoic acid?
The canonical SMILES for 4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)butanoic acid is CNC(C)(CCN(C)CCCOC)C(=O)O.
What is the InChIKey of 4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)butanoic acid?
The InChIKey is IAPDSBQOQGFMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-11(12-2,10(14)15)6-8-13(3)7-5-9-16-4/h12H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)butanoic acid?
4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)butanoic acid has a molecular weight of 232.32 g/mol, XLogP of 0.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)butanoic acid is sourced from PubChem (CID 63009891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).