2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid

C11H21NO3 — CID 82323302

IUPAC2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid
SMILESCCC(=O)N(CC(C)C)CC(C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-5-10(13)12(6-8(2)3)7-9(4)11(14)15/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKeyXQTGFFHUZFYKES-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.60
Rot. Bonds6

About 2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid

2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid (PubChem CID 82323302) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid
PubChem CID82323302
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid
SMILESCCC(=O)N(CC(C)C)CC(C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-5-10(13)12(6-8(2)3)7-9(4)11(14)15/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKeyXQTGFFHUZFYKES-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-[2-methylpropyl(propanoyl)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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid (CID 82323302) is 2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid is CCC(=O)N(CC(C)C)CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid?
The InChIKey is XQTGFFHUZFYKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-10(13)12(6-8(2)3)7-9(4)11(14)15/h8-9H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid?
2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid is sourced from PubChem (CID 82323302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).