2-[(2-acetamidoacetyl)-methylamino]-2-methylpropanoic acid

C9H16N2O4 — CID 62819507

IUPAC2-[(2-acetamidoacetyl)-methylamino]-2-methylpropanoic acid
SMILESCC(=O)NCC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-6(12)10-5-7(13)11(4)9(2,3)8(14)15/h5H2,1-4H3,(H,10,12)(H,14,15)
InChIKeyBIHGTWMZYIVOSW-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.56
Rot. Bonds4

About 2-[(2-acetamidoacetyl)-methylamino]-2-methylpropanoic acid

2-[(2-acetamidoacetyl)-methylamino]-2-methylpropanoic acid (PubChem CID 62819507) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[(2-acetamidoacetyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-acetamidoacetyl)-methylamino]-2-methylpropanoic acid
PubChem CID62819507
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-[(2-acetamidoacetyl)-methylamino]-2-methylpropanoic acid
SMILESCC(=O)NCC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-6(12)10-5-7(13)11(4)9(2,3)8(14)15/h5H2,1-4H3,(H,10,12)(H,14,15)
InChIKeyBIHGTWMZYIVOSW-UHFFFAOYSA-N
XLogP-0.56
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-acetamidoacetyl)-methylamino]-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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamidoacetyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-acetamidoacetyl)-methylamino]-2-methylpropanoic acid (CID 62819507) is 2-[(2-acetamidoacetyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-acetamidoacetyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-acetamidoacetyl)-methylamino]-2-methylpropanoic acid is CC(=O)NCC(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(2-acetamidoacetyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is BIHGTWMZYIVOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6(12)10-5-7(13)11(4)9(2,3)8(14)15/h5H2,1-4H3,(H,10,12)(H,14,15).
What are the key properties of 2-[(2-acetamidoacetyl)-methylamino]-2-methylpropanoic acid?
2-[(2-acetamidoacetyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 216.24 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamidoacetyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62819507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).