5-(2-amino-1-hydroxyethyl)benzene-1,3-diol

C8H11NO3 — CID 12534519

IUPAC5-(2-amino-1-hydroxyethyl)benzene-1,3-diol
SMILESNCC(O)c1cc(O)cc(O)c1
InChIInChI=1S/C8H11NO3/c9-4-8(12)5-1-6(10)3-7(11)2-5/h1-3,8,10-12H,4,9H2
InChIKeyVZVBXISLBQEWKU-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.09
Rot. Bonds2

About 5-(2-amino-1-hydroxyethyl)benzene-1,3-diol

5-(2-amino-1-hydroxyethyl)benzene-1,3-diol (PubChem CID 12534519) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-(2-amino-1-hydroxyethyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(2-amino-1-hydroxyethyl)benzene-1,3-diol
PubChem CID12534519
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name5-(2-amino-1-hydroxyethyl)benzene-1,3-diol
SMILESNCC(O)c1cc(O)cc(O)c1
InChIInChI=1S/C8H11NO3/c9-4-8(12)5-1-6(10)3-7(11)2-5/h1-3,8,10-12H,4,9H2
InChIKeyVZVBXISLBQEWKU-UHFFFAOYSA-N
XLogP0.09
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-(2-amino-1-hydroxyethyl)benzene-1,3-diol 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-[3-[(1R)-2-amino-1-hydroxyethyl]-5-hydroxyphenyl]propane-1,2-diol
CID 70004410
2-amino-1-(3,4,5-triiodophenyl)ethanol
CID 18627989
5-[2-(2-aminoethylamino)-1-hydroxyethyl]benzene-1,3-diol
CID 110176309
4-(2-amino-1-hydroxyethyl)phenol;sulfurous acid
CID 11413666
2-amino-1-(4-chloro-3,5-dimethylphenyl)ethanol
CID 84775613
ethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol
CID 143733652
3-(2-amino-1-hydroxyethyl)phenol;hydrogen sulfite
CID 25267770
potassium;4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydride
CID 173424167
[(2S)-2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]-propan-2-ylazanium
CID 25271692
2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol
CID 54487924
3-(2-amino-1-hydroxyethyl)-4-chloro-5-methylphenol
CID 84776533
2-amino-1-[3-methoxy-5-(methoxymethyl)phenyl]ethanol
CID 117301771

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-hydroxyethyl)benzene-1,3-diol?
The IUPAC name of 5-(2-amino-1-hydroxyethyl)benzene-1,3-diol (CID 12534519) is 5-(2-amino-1-hydroxyethyl)benzene-1,3-diol.
What is the SMILES notation for 5-(2-amino-1-hydroxyethyl)benzene-1,3-diol?
The canonical SMILES for 5-(2-amino-1-hydroxyethyl)benzene-1,3-diol is NCC(O)c1cc(O)cc(O)c1.
What is the InChIKey of 5-(2-amino-1-hydroxyethyl)benzene-1,3-diol?
The InChIKey is VZVBXISLBQEWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c9-4-8(12)5-1-6(10)3-7(11)2-5/h1-3,8,10-12H,4,9H2.
What are the key properties of 5-(2-amino-1-hydroxyethyl)benzene-1,3-diol?
5-(2-amino-1-hydroxyethyl)benzene-1,3-diol has a molecular weight of 169.18 g/mol, XLogP of 0.09, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1-hydroxyethyl)benzene-1,3-diol is sourced from PubChem (CID 12534519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).