2-[(2-amino-2-ethylbutanoyl)-methylamino]butanoic acid

C11H22N2O3 — CID 79812427

IUPAC2-[(2-amino-2-ethylbutanoyl)-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)C(N)(CC)CC
InChIInChI=1S/C11H22N2O3/c1-5-8(9(14)15)13(4)10(16)11(12,6-2)7-3/h8H,5-7,12H2,1-4H3,(H,14,15)
InChIKeyQOOQXYJULAVWLL-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.83
Rot. Bonds6

About 2-[(2-amino-2-ethylbutanoyl)-methylamino]butanoic acid

2-[(2-amino-2-ethylbutanoyl)-methylamino]butanoic acid (PubChem CID 79812427) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(2-amino-2-ethylbutanoyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[(2-amino-2-ethylbutanoyl)-methylamino]butanoic acid
PubChem CID79812427
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[(2-amino-2-ethylbutanoyl)-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)C(N)(CC)CC
InChIInChI=1S/C11H22N2O3/c1-5-8(9(14)15)13(4)10(16)11(12,6-2)7-3/h8H,5-7,12H2,1-4H3,(H,14,15)
InChIKeyQOOQXYJULAVWLL-UHFFFAOYSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-amino-2-ethylbutanoyl)-methylamino]butanoic 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-amino-2-ethylbutanoyl)-methylamino]butanoic acid?
The IUPAC name of 2-[(2-amino-2-ethylbutanoyl)-methylamino]butanoic acid (CID 79812427) is 2-[(2-amino-2-ethylbutanoyl)-methylamino]butanoic acid.
What is the SMILES notation for 2-[(2-amino-2-ethylbutanoyl)-methylamino]butanoic acid?
The canonical SMILES for 2-[(2-amino-2-ethylbutanoyl)-methylamino]butanoic acid is CCC(C(=O)O)N(C)C(=O)C(N)(CC)CC.
What is the InChIKey of 2-[(2-amino-2-ethylbutanoyl)-methylamino]butanoic acid?
The InChIKey is QOOQXYJULAVWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-8(9(14)15)13(4)10(16)11(12,6-2)7-3/h8H,5-7,12H2,1-4H3,(H,14,15).
What are the key properties of 2-[(2-amino-2-ethylbutanoyl)-methylamino]butanoic acid?
2-[(2-amino-2-ethylbutanoyl)-methylamino]butanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-ethylbutanoyl)-methylamino]butanoic acid is sourced from PubChem (CID 79812427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).