2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid

C11H20N2O3 — CID 43467179

IUPAC2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESC=C(C)CN(CC)C(=O)CNC(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-5-13(7-8(2)3)10(14)6-12-9(4)11(15)16/h9,12H,2,5-7H2,1,3-4H3,(H,15,16)
InChIKeyPWNKXARQRJPHLX-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.47
Rot. Bonds7

About 2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid

2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid (PubChem CID 43467179) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
PubChem CID43467179
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESC=C(C)CN(CC)C(=O)CNC(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-5-13(7-8(2)3)10(14)6-12-9(4)11(15)16/h9,12H,2,5-7H2,1,3-4H3,(H,15,16)
InChIKeyPWNKXARQRJPHLX-UHFFFAOYSA-N
XLogP0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]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-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid (CID 43467179) is 2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid is C=C(C)CN(CC)C(=O)CNC(C)C(=O)O.
What is the InChIKey of 2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is PWNKXARQRJPHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-5-13(7-8(2)3)10(14)6-12-9(4)11(15)16/h9,12H,2,5-7H2,1,3-4H3,(H,15,16).
What are the key properties of 2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid?
2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 43467179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).