3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,2-diol

C11H17NO3 — CID 131376130

IUPAC3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,2-diol
SMILESCC(C)(CO)[C@@H](N)c1cccc(O)c1O
InChIInChI=1S/C11H17NO3/c1-11(2,6-13)10(12)7-4-3-5-8(14)9(7)15/h3-5,10,13-15H,6,12H2,1-2H3/t10-/m0/s1
InChIKeyQMRHULLLFVDBAZ-JTQLQIEISA-N
MW211.26 g/mol
LogP1.12
Rot. Bonds3

About 3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,2-diol

3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,2-diol (PubChem CID 131376130) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,2-diol
PubChem CID131376130
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,2-diol
SMILESCC(C)(CO)[C@@H](N)c1cccc(O)c1O
InChIInChI=1S/C11H17NO3/c1-11(2,6-13)10(12)7-4-3-5-8(14)9(7)15/h3-5,10,13-15H,6,12H2,1-2H3/t10-/m0/s1
InChIKeyQMRHULLLFVDBAZ-JTQLQIEISA-N
XLogP1.12
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,2-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

2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-ethylphenol
CID 171253883
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]phenol;hydrochloride
CID 171246640
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-fluorophenol;hydrochloride
CID 171245849
3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-hydroxybenzonitrile
CID 131316848
3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-hydroxybenzonitrile;hydrochloride
CID 171259257
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-(trifluoromethoxy)phenol
CID 171255546
(3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 10330849
(3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol
CID 171251128
(3S)-3-amino-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171239204
2-amino-6-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol
CID 171254060
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,3-diol;hydrochloride
CID 171246317
2-amino-6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol;hydrochloride
CID 171257404

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,2-diol?
The IUPAC name of 3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,2-diol (CID 131376130) is 3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,2-diol.
What is the SMILES notation for 3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,2-diol?
The canonical SMILES for 3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,2-diol is CC(C)(CO)[C@@H](N)c1cccc(O)c1O.
What is the InChIKey of 3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,2-diol?
The InChIKey is QMRHULLLFVDBAZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17NO3/c1-11(2,6-13)10(12)7-4-3-5-8(14)9(7)15/h3-5,10,13-15H,6,12H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,2-diol?
3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,2-diol has a molecular weight of 211.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,2-diol is sourced from PubChem (CID 131376130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).