4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,2-diol

C13H19NO3 — CID 171160646

IUPAC4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,2-diol
SMILESN[C@H](c1ccc(O)c(O)c1)[C@@H](O)C1CCCC1
InChIInChI=1S/C13H19NO3/c14-12(13(17)8-3-1-2-4-8)9-5-6-10(15)11(16)7-9/h5-8,12-13,15-17H,1-4,14H2/t12-,13+/m1/s1
InChIKeyRQRPPWQTRIVXLP-OLZOCXBDSA-N
MW237.30 g/mol
LogP1.65
Rot. Bonds3

About 4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,2-diol

4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,2-diol (PubChem CID 171160646) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,2-diol
PubChem CID171160646
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,2-diol
SMILESN[C@H](c1ccc(O)c(O)c1)[C@@H](O)C1CCCC1
InChIInChI=1S/C13H19NO3/c14-12(13(17)8-3-1-2-4-8)9-5-6-10(15)11(16)7-9/h5-8,12-13,15-17H,1-4,14H2/t12-,13+/m1/s1
InChIKeyRQRPPWQTRIVXLP-OLZOCXBDSA-N
XLogP1.65
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2-chlorophenol
CID 171261781
4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol
CID 131343814
5-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-2-methoxyphenol;hydrochloride
CID 171160739
(1R,2S)-2-amino-1-cyclopentyl-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 171162489
(1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol
CID 171162507
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,4-diol
CID 171267061
5-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2-methoxyphenol
CID 171160742
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171161173
(1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol
CID 146913887
(1R,2S)-2-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)ethanol;hydrochloride
CID 171266933
2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,4-diol;hydrochloride
CID 171261378
(1S,2R)-2-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)ethanol;hydrochloride
CID 171261250

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,2-diol?
The IUPAC name of 4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,2-diol (CID 171160646) is 4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,2-diol?
The canonical SMILES for 4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,2-diol is N[C@H](c1ccc(O)c(O)c1)[C@@H](O)C1CCCC1.
What is the InChIKey of 4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,2-diol?
The InChIKey is RQRPPWQTRIVXLP-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H19NO3/c14-12(13(17)8-3-1-2-4-8)9-5-6-10(15)11(16)7-9/h5-8,12-13,15-17H,1-4,14H2/t12-,13+/m1/s1.
What are the key properties of 4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,2-diol?
4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,2-diol has a molecular weight of 237.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,2-diol is sourced from PubChem (CID 171160646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).