2-[2-(2,2-dimethylpropanoylamino)ethylamino]-2-methylpropanoic acid

C11H22N2O3 — CID 139452345

IUPAC2-[2-(2,2-dimethylpropanoylamino)ethylamino]-2-methylpropanoic acid
SMILESCC(C)(C)C(=O)NCCNC(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-10(2,3)8(14)12-6-7-13-11(4,5)9(15)16/h13H,6-7H2,1-5H3,(H,12,14)(H,15,16)
InChIKeyDGUMNCMCLXNCKR-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.60
Rot. Bonds5

About 2-[2-(2,2-dimethylpropanoylamino)ethylamino]-2-methylpropanoic acid

2-[2-(2,2-dimethylpropanoylamino)ethylamino]-2-methylpropanoic acid (PubChem CID 139452345) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylpropanoylamino)ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(2,2-dimethylpropanoylamino)ethylamino]-2-methylpropanoic acid
PubChem CID139452345
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[2-(2,2-dimethylpropanoylamino)ethylamino]-2-methylpropanoic acid
SMILESCC(C)(C)C(=O)NCCNC(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-10(2,3)8(14)12-6-7-13-11(4,5)9(15)16/h13H,6-7H2,1-5H3,(H,12,14)(H,15,16)
InChIKeyDGUMNCMCLXNCKR-UHFFFAOYSA-N
XLogP0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(2,2-dimethylpropanoylamino)ethylamino]-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-(2,2-dimethylpropanoylamino)ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(2,2-dimethylpropanoylamino)ethylamino]-2-methylpropanoic acid (CID 139452345) is 2-[2-(2,2-dimethylpropanoylamino)ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(2,2-dimethylpropanoylamino)ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(2,2-dimethylpropanoylamino)ethylamino]-2-methylpropanoic acid is CC(C)(C)C(=O)NCCNC(C)(C)C(=O)O.
What is the InChIKey of 2-[2-(2,2-dimethylpropanoylamino)ethylamino]-2-methylpropanoic acid?
The InChIKey is DGUMNCMCLXNCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-10(2,3)8(14)12-6-7-13-11(4,5)9(15)16/h13H,6-7H2,1-5H3,(H,12,14)(H,15,16).
What are the key properties of 2-[2-(2,2-dimethylpropanoylamino)ethylamino]-2-methylpropanoic acid?
2-[2-(2,2-dimethylpropanoylamino)ethylamino]-2-methylpropanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylpropanoylamino)ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 139452345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).