2-[3-(N-ethylanilino)propanoylamino]propanoic acid

C14H20N2O3 — CID 82042584

IUPAC2-[3-(N-ethylanilino)propanoylamino]propanoic acid
SMILESCCN(CCC(=O)NC(C)C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-16(12-7-5-4-6-8-12)10-9-13(17)15-11(2)14(18)19/h4-8,11H,3,9-10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyCYBUEESRMCILBO-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.49
Rot. Bonds7

About 2-[3-(N-ethylanilino)propanoylamino]propanoic acid

2-[3-(N-ethylanilino)propanoylamino]propanoic acid (PubChem CID 82042584) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[3-(N-ethylanilino)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-[3-(N-ethylanilino)propanoylamino]propanoic acid
PubChem CID82042584
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[3-(N-ethylanilino)propanoylamino]propanoic acid
SMILESCCN(CCC(=O)NC(C)C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-16(12-7-5-4-6-8-12)10-9-13(17)15-11(2)14(18)19/h4-8,11H,3,9-10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyCYBUEESRMCILBO-UHFFFAOYSA-N
XLogP1.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(N-ethylanilino)propanoylamino]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-[3-(N-ethylanilino)propanoylamino]propanoic acid?
The IUPAC name of 2-[3-(N-ethylanilino)propanoylamino]propanoic acid (CID 82042584) is 2-[3-(N-ethylanilino)propanoylamino]propanoic acid.
What is the SMILES notation for 2-[3-(N-ethylanilino)propanoylamino]propanoic acid?
The canonical SMILES for 2-[3-(N-ethylanilino)propanoylamino]propanoic acid is CCN(CCC(=O)NC(C)C(=O)O)c1ccccc1.
What is the InChIKey of 2-[3-(N-ethylanilino)propanoylamino]propanoic acid?
The InChIKey is CYBUEESRMCILBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-16(12-7-5-4-6-8-12)10-9-13(17)15-11(2)14(18)19/h4-8,11H,3,9-10H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[3-(N-ethylanilino)propanoylamino]propanoic acid?
2-[3-(N-ethylanilino)propanoylamino]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(N-ethylanilino)propanoylamino]propanoic acid is sourced from PubChem (CID 82042584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).