2-ethoxy-3-[ethyl(2-methylpropyl)amino]propanoic acid

C11H23NO3 — CID 63068079

IUPAC2-ethoxy-3-[ethyl(2-methylpropyl)amino]propanoic acid
SMILESCCOC(CN(CC)CC(C)C)C(=O)O
InChIInChI=1S/C11H23NO3/c1-5-12(7-9(3)4)8-10(11(13)14)15-6-2/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyFXALIPBJTLFTDM-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.45
Rot. Bonds8

About 2-ethoxy-3-[ethyl(2-methylpropyl)amino]propanoic acid

2-ethoxy-3-[ethyl(2-methylpropyl)amino]propanoic acid (PubChem CID 63068079) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-ethoxy-3-[ethyl(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-[ethyl(2-methylpropyl)amino]propanoic acid
PubChem CID63068079
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-ethoxy-3-[ethyl(2-methylpropyl)amino]propanoic acid
SMILESCCOC(CN(CC)CC(C)C)C(=O)O
InChIInChI=1S/C11H23NO3/c1-5-12(7-9(3)4)8-10(11(13)14)15-6-2/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyFXALIPBJTLFTDM-UHFFFAOYSA-N
XLogP1.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-3-[ethyl(2-methylpropyl)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-ethoxy-3-[ethyl(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 2-ethoxy-3-[ethyl(2-methylpropyl)amino]propanoic acid (CID 63068079) is 2-ethoxy-3-[ethyl(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 2-ethoxy-3-[ethyl(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 2-ethoxy-3-[ethyl(2-methylpropyl)amino]propanoic acid is CCOC(CN(CC)CC(C)C)C(=O)O.
What is the InChIKey of 2-ethoxy-3-[ethyl(2-methylpropyl)amino]propanoic acid?
The InChIKey is FXALIPBJTLFTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-12(7-9(3)4)8-10(11(13)14)15-6-2/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 2-ethoxy-3-[ethyl(2-methylpropyl)amino]propanoic acid?
2-ethoxy-3-[ethyl(2-methylpropyl)amino]propanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[ethyl(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 63068079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).