2-(2-hydroxyethylamino)ethanol;3-phenylprop-2-enoic acid

C13H19NO4 — CID 74935363

IUPAC2-(2-hydroxyethylamino)ethanol;3-phenylprop-2-enoic acid
SMILESO=C(O)C=Cc1ccccc1.OCCNCCO
InChIInChI=1S/C9H8O2.C4H11NO2/c10-9(11)7-6-8-4-2-1-3-5-8;6-3-1-5-2-4-7/h1-7H,(H,10,11);5-7H,1-4H2
InChIKeyYXULWCZPIGMWJT-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.34
Rot. Bonds6

About 2-(2-hydroxyethylamino)ethanol;3-phenylprop-2-enoic acid

2-(2-hydroxyethylamino)ethanol;3-phenylprop-2-enoic acid (PubChem CID 74935363) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;3-phenylprop-2-enoic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;3-phenylprop-2-enoic acid
PubChem CID74935363
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-(2-hydroxyethylamino)ethanol;3-phenylprop-2-enoic acid
SMILESO=C(O)C=Cc1ccccc1.OCCNCCO
InChIInChI=1S/C9H8O2.C4H11NO2/c10-9(11)7-6-8-4-2-1-3-5-8;6-3-1-5-2-4-7/h1-7H,(H,10,11);5-7H,1-4H2
InChIKeyYXULWCZPIGMWJT-UHFFFAOYSA-N
XLogP0.34
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(2-hydroxyethylamino)ethanol;3-phenylprop-2-enoic 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-hydroxyethylamino)ethanol;3-phenylprop-2-enoic acid?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;3-phenylprop-2-enoic acid (CID 74935363) is 2-(2-hydroxyethylamino)ethanol;3-phenylprop-2-enoic acid.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;3-phenylprop-2-enoic acid?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;3-phenylprop-2-enoic acid is O=C(O)C=Cc1ccccc1.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;3-phenylprop-2-enoic acid?
The InChIKey is YXULWCZPIGMWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2.C4H11NO2/c10-9(11)7-6-8-4-2-1-3-5-8;6-3-1-5-2-4-7/h1-7H,(H,10,11);5-7H,1-4H2.
What are the key properties of 2-(2-hydroxyethylamino)ethanol;3-phenylprop-2-enoic acid?
2-(2-hydroxyethylamino)ethanol;3-phenylprop-2-enoic acid has a molecular weight of 253.30 g/mol, XLogP of 0.34, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;3-phenylprop-2-enoic acid is sourced from PubChem (CID 74935363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).