3-[3-methoxypropyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid

C11H24N2O3 — CID 63009526

IUPAC3-[3-methoxypropyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid
SMILESCOCCCN(C)CC(NC(C)C)C(=O)O
InChIInChI=1S/C11H24N2O3/c1-9(2)12-10(11(14)15)8-13(3)6-5-7-16-4/h9-10,12H,5-8H2,1-4H3,(H,14,15)
InChIKeyZHWPVAHGYSUHNE-UHFFFAOYSA-N
MW232.32 g/mol
LogP0.41
Rot. Bonds9

About 3-[3-methoxypropyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid

3-[3-methoxypropyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid (PubChem CID 63009526) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-[3-methoxypropyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name3-[3-methoxypropyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid
PubChem CID63009526
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name3-[3-methoxypropyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid
SMILESCOCCCN(C)CC(NC(C)C)C(=O)O
InChIInChI=1S/C11H24N2O3/c1-9(2)12-10(11(14)15)8-13(3)6-5-7-16-4/h9-10,12H,5-8H2,1-4H3,(H,14,15)
InChIKeyZHWPVAHGYSUHNE-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 3-[3-methoxypropyl(methyl)amino]-2-(propan-2-ylamino)propanoic 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

3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 81061472
2-amino-3-[3-methoxypropyl(methyl)amino]propanamide
CID 63009708
4-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63028225
4-(3-methoxypropylsulfanyl)-2-(propan-2-ylamino)butanoic acid
CID 63857783
4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63054663
(2S)-3-hydroxy-2-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 62996884
2-acetamido-3-[2-methoxyethyl(3-methoxypropyl)amino]propanoic acid
CID 64582514
4-[2-ethoxyethyl(methyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 81061462
3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid
CID 82327474
(2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566916
4-[methyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63028232
2-amino-N-(3-methoxypropyl)-N-methylpropanamide
CID 63010028

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxypropyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid?
The IUPAC name of 3-[3-methoxypropyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid (CID 63009526) is 3-[3-methoxypropyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid.
What is the SMILES notation for 3-[3-methoxypropyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid?
The canonical SMILES for 3-[3-methoxypropyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid is COCCCN(C)CC(NC(C)C)C(=O)O.
What is the InChIKey of 3-[3-methoxypropyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid?
The InChIKey is ZHWPVAHGYSUHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-9(2)12-10(11(14)15)8-13(3)6-5-7-16-4/h9-10,12H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 3-[3-methoxypropyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid?
3-[3-methoxypropyl(methyl)amino]-2-(propan-2-ylamino)propanoic 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 3-[3-methoxypropyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid is sourced from PubChem (CID 63009526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).