3-[2-acetamidoethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid

C11H22N2O4 — CID 82330169

IUPAC3-[2-acetamidoethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
SMILESCC(=O)NCCN(CCCO)CC(C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-9(11(16)17)8-13(5-3-7-14)6-4-12-10(2)15/h9,14H,3-8H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyAOSRGLRWMIWXQR-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.47
Rot. Bonds9

About 3-[2-acetamidoethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid

3-[2-acetamidoethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid (PubChem CID 82330169) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[2-acetamidoethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-acetamidoethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
PubChem CID82330169
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name3-[2-acetamidoethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
SMILESCC(=O)NCCN(CCCO)CC(C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-9(11(16)17)8-13(5-3-7-14)6-4-12-10(2)15/h9,14H,3-8H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyAOSRGLRWMIWXQR-UHFFFAOYSA-N
XLogP-0.47
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[2-acetamidoethyl(3-hydroxypropyl)amino]-2-methylpropanoic 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-[3-acetamidopropyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82329659
3-[3-acetamidopropyl(propyl)amino]-2-methylpropanoic acid
CID 82328152
3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82330162
3-[2-hydroxypropyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82330163
3-[cyanomethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82328543
3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid
CID 82328942
3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid
CID 82330638
N-[2-[bis(2-acetamidoethyl)amino]ethyl]acetamide
CID 14382083
N-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide
CID 143571898
3-[heptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328811
3-[2-(dimethylamino)ethyl-[3-(dimethylamino)propyl]amino]-2-methylpropanoic acid
CID 82330442
3-[[2-(butylamino)-2-oxoethyl]-(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82327238

Frequently Asked Questions

What is the IUPAC name of 3-[2-acetamidoethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-acetamidoethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid (CID 82330169) is 3-[2-acetamidoethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-acetamidoethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-acetamidoethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid is CC(=O)NCCN(CCCO)CC(C)C(=O)O.
What is the InChIKey of 3-[2-acetamidoethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid?
The InChIKey is AOSRGLRWMIWXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-9(11(16)17)8-13(5-3-7-14)6-4-12-10(2)15/h9,14H,3-8H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 3-[2-acetamidoethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid?
3-[2-acetamidoethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid has a molecular weight of 246.31 g/mol, XLogP of -0.47, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-acetamidoethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82330169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).