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

C8H11NO3 — CID 66513524

IUPAC2-[(1R)-1-amino-2-hydroxyethyl]benzene-1,3-diol
SMILESN[C@@H](CO)c1c(O)cccc1O
InChIInChI=1S/C8H11NO3/c9-5(4-10)8-6(11)2-1-3-7(8)12/h1-3,5,10-12H,4,9H2/t5-/m0/s1
InChIKeyKYJTUYXAMPWUDJ-YFKPBYRVSA-N
MW169.18 g/mol
LogP0.09
Rot. Bonds2

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

2-[(1R)-1-amino-2-hydroxyethyl]benzene-1,3-diol (PubChem CID 66513524) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-hydroxyethyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-hydroxyethyl]benzene-1,3-diol
PubChem CID66513524
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-[(1R)-1-amino-2-hydroxyethyl]benzene-1,3-diol
SMILESN[C@@H](CO)c1c(O)cccc1O
InChIInChI=1S/C8H11NO3/c9-5(4-10)8-6(11)2-1-3-7(8)12/h1-3,5,10-12H,4,9H2/t5-/m0/s1
InChIKeyKYJTUYXAMPWUDJ-YFKPBYRVSA-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

Computed Properties (RDKit)

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

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Related Compounds

2-(1-amino-2-hydroxyethyl)-3-methylsulfanylphenol
CID 117288815
2-(1-amino-2-hydroxyethyl)-3-methoxyphenol
CID 77129655
1-(1-amino-2-hydroxyethyl)naphthalen-2-ol
CID 77129792
2-(1-amino-2-hydroxyethyl)-3-propan-2-yloxyphenol
CID 84678506
2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol
CID 130061799
(2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol
CID 66515831
2-amino-2-(2-bromo-6-methylphenyl)ethanol
CID 130062182
2-amino-2-[2-(hydroxymethyl)-6-methylphenyl]ethanol
CID 130042273
2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol
CID 84776111
(2S)-2-amino-2-anthracen-9-ylethanol
CID 11623207
2-[(1R)-1-aminopropyl]-3-methylphenol
CID 130648593
3-chloro-2-[(1S)-1,2-diaminoethyl]phenol
CID 55277698

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-hydroxyethyl]benzene-1,3-diol?
The IUPAC name of 2-[(1R)-1-amino-2-hydroxyethyl]benzene-1,3-diol (CID 66513524) is 2-[(1R)-1-amino-2-hydroxyethyl]benzene-1,3-diol.
What is the SMILES notation for 2-[(1R)-1-amino-2-hydroxyethyl]benzene-1,3-diol?
The canonical SMILES for 2-[(1R)-1-amino-2-hydroxyethyl]benzene-1,3-diol is N[C@@H](CO)c1c(O)cccc1O.
What is the InChIKey of 2-[(1R)-1-amino-2-hydroxyethyl]benzene-1,3-diol?
The InChIKey is KYJTUYXAMPWUDJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11NO3/c9-5(4-10)8-6(11)2-1-3-7(8)12/h1-3,5,10-12H,4,9H2/t5-/m0/s1.
What are the key properties of 2-[(1R)-1-amino-2-hydroxyethyl]benzene-1,3-diol?
2-[(1R)-1-amino-2-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 2-[(1R)-1-amino-2-hydroxyethyl]benzene-1,3-diol is sourced from PubChem (CID 66513524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).