2-acetamido-3-[methyl-[2-(methylamino)ethyl]amino]propanoic acid

C9H19N3O3 — CID 64583318

IUPAC2-acetamido-3-[methyl-[2-(methylamino)ethyl]amino]propanoic acid
SMILESCNCCN(C)CC(NC(C)=O)C(=O)O
InChIInChI=1S/C9H19N3O3/c1-7(13)11-8(9(14)15)6-12(3)5-4-10-2/h8,10H,4-6H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyONCJRCKGBQIVLB-UHFFFAOYSA-N
MW217.27 g/mol
LogP-1.27
Rot. Bonds7

About 2-acetamido-3-[methyl-[2-(methylamino)ethyl]amino]propanoic acid

2-acetamido-3-[methyl-[2-(methylamino)ethyl]amino]propanoic acid (PubChem CID 64583318) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-acetamido-3-[methyl-[2-(methylamino)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[methyl-[2-(methylamino)ethyl]amino]propanoic acid
PubChem CID64583318
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name2-acetamido-3-[methyl-[2-(methylamino)ethyl]amino]propanoic acid
SMILESCNCCN(C)CC(NC(C)=O)C(=O)O
InChIInChI=1S/C9H19N3O3/c1-7(13)11-8(9(14)15)6-12(3)5-4-10-2/h8,10H,4-6H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyONCJRCKGBQIVLB-UHFFFAOYSA-N
XLogP-1.27
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-acetamido-3-[methyl-[2-(methylamino)ethyl]amino]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

2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]propanoic acid
CID 64583126
2-acetamido-3-[2,2-dimethylpropyl(methyl)amino]propanoic acid
CID 64582721
2-acetamido-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanoic acid
CID 64583130
2-acetamido-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanoic acid
CID 64581916
2-acetamido-3-[bis(2-methylpropyl)amino]propanoic acid
CID 64582308
(2R)-1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 103668529
1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 62337944
2-acetamido-3-[methyl(4-methylpentan-2-yl)amino]propanoic acid
CID 64582521
2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid
CID 64581715
tris(2-acetamidobutanedioic acid);phosphane
CID 174666186
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
2-acetamido-3-hydroxypropanoic acid;sulfane
CID 175323357

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[methyl-[2-(methylamino)ethyl]amino]propanoic acid?
The IUPAC name of 2-acetamido-3-[methyl-[2-(methylamino)ethyl]amino]propanoic acid (CID 64583318) is 2-acetamido-3-[methyl-[2-(methylamino)ethyl]amino]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[methyl-[2-(methylamino)ethyl]amino]propanoic acid?
The canonical SMILES for 2-acetamido-3-[methyl-[2-(methylamino)ethyl]amino]propanoic acid is CNCCN(C)CC(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-[methyl-[2-(methylamino)ethyl]amino]propanoic acid?
The InChIKey is ONCJRCKGBQIVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-7(13)11-8(9(14)15)6-12(3)5-4-10-2/h8,10H,4-6H2,1-3H3,(H,11,13)(H,14,15).
What are the key properties of 2-acetamido-3-[methyl-[2-(methylamino)ethyl]amino]propanoic acid?
2-acetamido-3-[methyl-[2-(methylamino)ethyl]amino]propanoic acid has a molecular weight of 217.27 g/mol, XLogP of -1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[methyl-[2-(methylamino)ethyl]amino]propanoic acid is sourced from PubChem (CID 64583318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).