3-[(2-acetamidoacetyl)amino]-2,2,3-trimethylbutanoic acid

C11H20N2O4 — CID 65261841

IUPAC3-[(2-acetamidoacetyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCC(=O)NCC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(14)12-6-8(15)13-11(4,5)10(2,3)9(16)17/h6H2,1-5H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeySMDQWETXJRAYQM-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.13
Rot. Bonds5

About 3-[(2-acetamidoacetyl)amino]-2,2,3-trimethylbutanoic acid

3-[(2-acetamidoacetyl)amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65261841) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[(2-acetamidoacetyl)amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[(2-acetamidoacetyl)amino]-2,2,3-trimethylbutanoic acid
PubChem CID65261841
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-[(2-acetamidoacetyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCC(=O)NCC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(14)12-6-8(15)13-11(4,5)10(2,3)9(16)17/h6H2,1-5H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeySMDQWETXJRAYQM-UHFFFAOYSA-N
XLogP0.13
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(2-acetamidoacetyl)amino]-2,2,3-trimethylbutanoic 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 3-[(2-acetamidoacetyl)amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[(2-acetamidoacetyl)amino]-2,2,3-trimethylbutanoic acid (CID 65261841) is 3-[(2-acetamidoacetyl)amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[(2-acetamidoacetyl)amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[(2-acetamidoacetyl)amino]-2,2,3-trimethylbutanoic acid is CC(=O)NCC(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-[(2-acetamidoacetyl)amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is SMDQWETXJRAYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(14)12-6-8(15)13-11(4,5)10(2,3)9(16)17/h6H2,1-5H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 3-[(2-acetamidoacetyl)amino]-2,2,3-trimethylbutanoic acid?
3-[(2-acetamidoacetyl)amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-acetamidoacetyl)amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65261841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).