5-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzene-1,3-diol

C11H15NO3 — CID 171266816

IUPAC5-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzene-1,3-diol
SMILESN[C@@H](c1cc(O)cc(O)c1)[C@H](O)C1CC1
InChIInChI=1S/C11H15NO3/c12-10(11(15)6-1-2-6)7-3-8(13)5-9(14)4-7/h3-6,10-11,13-15H,1-2,12H2/t10-,11+/m0/s1
InChIKeyXHCZZJMSVSAQDZ-WDEREUQCSA-N
MW209.25 g/mol
LogP0.87
Rot. Bonds3

About 5-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzene-1,3-diol

5-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzene-1,3-diol (PubChem CID 171266816) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzene-1,3-diol
PubChem CID171266816
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name5-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzene-1,3-diol
SMILESN[C@@H](c1cc(O)cc(O)c1)[C@H](O)C1CC1
InChIInChI=1S/C11H15NO3/c12-10(11(15)6-1-2-6)7-3-8(13)5-9(14)4-7/h3-6,10-11,13-15H,1-2,12H2/t10-,11+/m0/s1
InChIKeyXHCZZJMSVSAQDZ-WDEREUQCSA-N
XLogP0.87
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride
CID 171160686
(1R,2S)-2-amino-1-cyclopropyl-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride
CID 171161607
4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2,6-dimethoxyphenol
CID 171162312
2-amino-1-cyclopropyl-2-phenylethanol
CID 62720038
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,3,5-triol
CID 171272047
5-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,3-diol
CID 130642566
4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-dimethylphenol;hydrochloride
CID 171262445
(1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol
CID 171160225
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol
CID 130803068
4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol
CID 171266603
(1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol;hydrochloride
CID 171160226
4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,2-diol
CID 171160646

Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzene-1,3-diol?
The IUPAC name of 5-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzene-1,3-diol (CID 171266816) is 5-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzene-1,3-diol?
The canonical SMILES for 5-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzene-1,3-diol is N[C@@H](c1cc(O)cc(O)c1)[C@H](O)C1CC1.
What is the InChIKey of 5-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzene-1,3-diol?
The InChIKey is XHCZZJMSVSAQDZ-WDEREUQCSA-N. The full InChI is InChI=1S/C11H15NO3/c12-10(11(15)6-1-2-6)7-3-8(13)5-9(14)4-7/h3-6,10-11,13-15H,1-2,12H2/t10-,11+/m0/s1.
What are the key properties of 5-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzene-1,3-diol?
5-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzene-1,3-diol has a molecular weight of 209.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzene-1,3-diol is sourced from PubChem (CID 171266816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).