5-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2-methoxyphenol

C12H17NO3 — CID 171160742

IUPAC5-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2-methoxyphenol
SMILESCOc1ccc([C@@H](N)[C@@H](O)C2CC2)cc1O
InChIInChI=1S/C12H17NO3/c1-16-10-5-4-8(6-9(10)14)11(13)12(15)7-2-3-7/h4-7,11-12,14-15H,2-3,13H2,1H3/t11-,12+/m1/s1
InChIKeyLVKNGBZDBWGKDD-NEPJUHHUSA-N
MW223.27 g/mol
LogP1.17
Rot. Bonds4

About 5-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2-methoxyphenol

5-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2-methoxyphenol (PubChem CID 171160742) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2-methoxyphenol
PubChem CID171160742
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name5-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2-methoxyphenol
SMILESCOc1ccc([C@@H](N)[C@@H](O)C2CC2)cc1O
InChIInChI=1S/C12H17NO3/c1-16-10-5-4-8(6-9(10)14)11(13)12(15)7-2-3-7/h4-7,11-12,14-15H,2-3,13H2,1H3/t11-,12+/m1/s1
InChIKeyLVKNGBZDBWGKDD-NEPJUHHUSA-N
XLogP1.17
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-2-methoxyphenol;hydrochloride
CID 171160739
5-[(R)-amino(cyclopropyl)methyl]-2-methoxyphenol
CID 55254634
4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2,6-dimethoxyphenol
CID 171162312
5-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-2-methoxyphenol
CID 171162182
(1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 171162193
(1R,2S)-2-amino-1-cyclopentyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 171161937
(1R,2S)-2-amino-1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 171161939
5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol
CID 171218830
5-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-methoxyphenol
CID 171160755
5-[(1R,2S)-1-amino-2-hydroxy-4-methylpentyl]-2-methoxyphenol
CID 171160749
(1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol
CID 171264853
5-[(1S)-1-aminoethyl]-2-methoxyphenol
CID 55253033

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2-methoxyphenol?
The IUPAC name of 5-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2-methoxyphenol (CID 171160742) is 5-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2-methoxyphenol?
The canonical SMILES for 5-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2-methoxyphenol is COc1ccc([C@@H](N)[C@@H](O)C2CC2)cc1O.
What is the InChIKey of 5-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2-methoxyphenol?
The InChIKey is LVKNGBZDBWGKDD-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H17NO3/c1-16-10-5-4-8(6-9(10)14)11(13)12(15)7-2-3-7/h4-7,11-12,14-15H,2-3,13H2,1H3/t11-,12+/m1/s1.
What are the key properties of 5-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2-methoxyphenol?
5-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2-methoxyphenol has a molecular weight of 223.27 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2-methoxyphenol is sourced from PubChem (CID 171160742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).