2-(2-hydroxyethylamino)ethanol;2-methylbut-2-enoic acid

C9H19NO4 — CID 174818546

IUPAC2-(2-hydroxyethylamino)ethanol;2-methylbut-2-enoic acid
SMILESCC=C(C)C(=O)O.OCCNCCO
InChIInChI=1S/C5H8O2.C4H11NO2/c1-3-4(2)5(6)7;6-3-1-5-2-4-7/h3H,1-2H3,(H,6,7);5-7H,1-4H2
InChIKeyIWGOBJMCHUZLOG-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.40
Rot. Bonds5

About 2-(2-hydroxyethylamino)ethanol;2-methylbut-2-enoic acid

2-(2-hydroxyethylamino)ethanol;2-methylbut-2-enoic acid (PubChem CID 174818546) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;2-methylbut-2-enoic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;2-methylbut-2-enoic acid
PubChem CID174818546
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-(2-hydroxyethylamino)ethanol;2-methylbut-2-enoic acid
SMILESCC=C(C)C(=O)O.OCCNCCO
InChIInChI=1S/C5H8O2.C4H11NO2/c1-3-4(2)5(6)7;6-3-1-5-2-4-7/h3H,1-2H3,(H,6,7);5-7H,1-4H2
InChIKeyIWGOBJMCHUZLOG-UHFFFAOYSA-N
XLogP-0.40
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.40
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;2-methylbut-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

Related Compounds

1-Propanol, 2-(dimethylamino)-2-methyl-, (2Z)-2-butenedioate (1:1)
CID 90474710
(Z)-but-2-enedioic acid;2-(2-hydroxyethylamino)ethanol
CID 6441765
bis(2-hydroxyethyl)azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
CID 170987510
Bis(2-hydroxyethyl)ammonium hydrogen maleate
CID 6452295
Tris(2-hydroxyethyl)ammonium hydrogen (E,E)-hexa-2,4-dienedioate
CID 44147318
(1-Hydroxy-2-methylpropan-2-yl)-dimethylazanium;4-hydroxy-4-oxobut-2-enoate
CID 71439646
But-2-enedioic acid;2-(2-hydroxyethylamino)ethanol
CID 172345
(E)-but-2-enoic acid;2-(2-hydroxyethylamino)ethanol
CID 11542908
2-(2-Hydroxyethylamino)ethanol;2-methylprop-2-enoic acid
CID 17883416
2-(2-Hydroxyethylamino)propan-1-ol;bis(2-methylprop-2-enoic acid)
CID 20154114
2-(2-Hydroxyethylamino)butan-1-ol;bis(2-methylprop-2-enoic acid)
CID 23026238
4-(Tert-butylamino)-2-methylbut-2-enoic acid
CID 57220833

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;2-methylbut-2-enoic acid?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;2-methylbut-2-enoic acid (CID 174818546) is 2-(2-hydroxyethylamino)ethanol;2-methylbut-2-enoic acid.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;2-methylbut-2-enoic acid?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;2-methylbut-2-enoic acid is CC=C(C)C(=O)O.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;2-methylbut-2-enoic acid?
The InChIKey is IWGOBJMCHUZLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C4H11NO2/c1-3-4(2)5(6)7;6-3-1-5-2-4-7/h3H,1-2H3,(H,6,7);5-7H,1-4H2.
What are the key properties of 2-(2-hydroxyethylamino)ethanol;2-methylbut-2-enoic acid?
2-(2-hydroxyethylamino)ethanol;2-methylbut-2-enoic acid has a molecular weight of 205.25 g/mol, XLogP of -0.40, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;2-methylbut-2-enoic acid is sourced from PubChem (CID 174818546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).