2-(2-hydroxyethylamino)ethanol;2-phenylpropanoic acid

C13H21NO4 — CID 160914011

IUPAC2-(2-hydroxyethylamino)ethanol;2-phenylpropanoic acid
SMILESCC(C(=O)O)c1ccccc1.OCCNCCO
InChIInChI=1S/C9H10O2.C4H11NO2/c1-7(9(10)11)8-5-3-2-4-6-8;6-3-1-5-2-4-7/h2-7H,1H3,(H,10,11);5-7H,1-4H2
InChIKeySRDWTYWJMBCASH-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.44
Rot. Bonds6

About 2-(2-hydroxyethylamino)ethanol;2-phenylpropanoic acid

2-(2-hydroxyethylamino)ethanol;2-phenylpropanoic acid (PubChem CID 160914011) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;2-phenylpropanoic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;2-phenylpropanoic acid
PubChem CID160914011
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-(2-hydroxyethylamino)ethanol;2-phenylpropanoic acid
SMILESCC(C(=O)O)c1ccccc1.OCCNCCO
InChIInChI=1S/C9H10O2.C4H11NO2/c1-7(9(10)11)8-5-3-2-4-6-8;6-3-1-5-2-4-7/h2-7H,1H3,(H,10,11);5-7H,1-4H2
InChIKeySRDWTYWJMBCASH-UHFFFAOYSA-N
XLogP0.44
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxyethylamino)ethanol;2-phenylpropanoic 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

ethane-1,2-diol;2-phenylpropanoic acid
CID 175461834
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
2-[3-[(2-hydroxyethylamino)methyl]phenyl]propanoic acid;oxalic acid
CID 67389415
bis(3-phenylbutan-2-one);2-phenylpropanoic acid
CID 143307414
2-(2-hydroxyethylamino)ethanol;[(1S)-1-phenylethyl]boronic acid
CID 121012623
ethoxyethane;2-phenylpropanoic acid
CID 174766454
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
2-[4-[(3-hydroxypropylamino)methyl]phenyl]propanoic acid
CID 103238223
2-(2-hydroxyethylamino)ethanol;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid
CID 71735844
2-[4-[(3-hydroxy-2-phenylpropanoyl)amino]phenyl]propanoic acid
CID 70598523

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;2-phenylpropanoic acid?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;2-phenylpropanoic acid (CID 160914011) is 2-(2-hydroxyethylamino)ethanol;2-phenylpropanoic acid.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;2-phenylpropanoic acid?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;2-phenylpropanoic acid is CC(C(=O)O)c1ccccc1.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;2-phenylpropanoic acid?
The InChIKey is SRDWTYWJMBCASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C4H11NO2/c1-7(9(10)11)8-5-3-2-4-6-8;6-3-1-5-2-4-7/h2-7H,1H3,(H,10,11);5-7H,1-4H2.
What are the key properties of 2-(2-hydroxyethylamino)ethanol;2-phenylpropanoic acid?
2-(2-hydroxyethylamino)ethanol;2-phenylpropanoic acid has a molecular weight of 255.31 g/mol, XLogP of 0.44, 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;2-phenylpropanoic acid is sourced from PubChem (CID 160914011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).