5-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,3-diol;hydrochloride

C10H16ClNO3 — CID 171261128

IUPAC5-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,3-diol;hydrochloride
SMILESCC[C@H](O)[C@H](N)c1cc(O)cc(O)c1.Cl
InChIInChI=1S/C10H15NO3.ClH/c1-2-9(14)10(11)6-3-7(12)5-8(13)4-6;/h3-5,9-10,12-14H,2,11H2,1H3;1H/t9-,10+;/m0./s1
InChIKeyFBCINODUIRXCJG-BAUSSPIASA-N
MW233.69 g/mol
LogP1.29
Rot. Bonds3

About 5-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,3-diol;hydrochloride

5-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,3-diol;hydrochloride (PubChem CID 171261128) has the molecular formula C10H16ClNO3 and a molecular weight of 233.69 g/mol. Its IUPAC name is 5-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,3-diol;hydrochloride.

Molecular Properties

Compound Name5-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,3-diol;hydrochloride
PubChem CID171261128
Molecular FormulaC10H16ClNO3
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Name5-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,3-diol;hydrochloride
SMILESCC[C@H](O)[C@H](N)c1cc(O)cc(O)c1.Cl
InChIInChI=1S/C10H15NO3.ClH/c1-2-9(14)10(11)6-3-7(12)5-8(13)4-6;/h3-5,9-10,12-14H,2,11H2,1H3;1H/t9-,10+;/m0./s1
InChIKeyFBCINODUIRXCJG-BAUSSPIASA-N
XLogP1.29
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1S,2R)-1-amino-2-hydroxypentyl]benzene-1,3-diol;hydrochloride
CID 171266831
5-[(1S,2R)-1-amino-2-hydroxyhexyl]benzene-1,3-diol;hydrochloride
CID 171266833
5-[(1R,2S)-1-amino-2-hydroxyhexyl]benzene-1,3-diol
CID 171261146
5-[(1S,2R)-1-amino-2-hydroxyhexyl]benzene-1,3-diol
CID 171266832
5-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]benzene-1,3-diol;hydrochloride
CID 171266829
5-[(1R,2S)-1-amino-2-hydroxy-5-methylhexyl]benzene-1,3-diol
CID 171261148
1-amino-1-(3,5-difluorophenyl)butan-2-ol
CID 130150345
(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)butan-2-ol;hydrochloride
CID 171162399
4-[(1S,2R)-1-amino-2-hydroxybutyl]-3,5-dimethoxyphenol
CID 171268735
5-[(1S)-1-aminobutyl]benzene-1,3-diol;hydrochloride
CID 171219418
4-[(1R,2S)-1-amino-2-hydroxybutyl]-2-fluorophenol
CID 131131076
(1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol
CID 130683153

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,3-diol;hydrochloride?
The IUPAC name of 5-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,3-diol;hydrochloride (CID 171261128) is 5-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,3-diol;hydrochloride.
What is the SMILES notation for 5-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,3-diol;hydrochloride?
The canonical SMILES for 5-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,3-diol;hydrochloride is CC[C@H](O)[C@H](N)c1cc(O)cc(O)c1.Cl.
What is the InChIKey of 5-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,3-diol;hydrochloride?
The InChIKey is FBCINODUIRXCJG-BAUSSPIASA-N. The full InChI is InChI=1S/C10H15NO3.ClH/c1-2-9(14)10(11)6-3-7(12)5-8(13)4-6;/h3-5,9-10,12-14H,2,11H2,1H3;1H/t9-,10+;/m0./s1.
What are the key properties of 5-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,3-diol;hydrochloride?
5-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,3-diol;hydrochloride has a molecular weight of 233.69 g/mol, XLogP of 1.29, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,3-diol;hydrochloride is sourced from PubChem (CID 171261128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).