(2R,3R,4R,5R)-2-(3-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol

C13H19NO5 — CID 44570116

IUPAC(2R,3R,4R,5R)-2-(3-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol
SMILESCOc1ccc([C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)N2C)cc1O
InChIInChI=1S/C13H19NO5/c1-14-8(6-15)12(17)13(18)11(14)7-3-4-10(19-2)9(16)5-7/h3-5,8,11-13,15-18H,6H2,1-2H3/t8-,11-,12-,13-/m1/s1
InChIKeyHTCGMHROFKRTOU-HUXSOILUSA-N
MW269.30 g/mol
LogP-0.53
Rot. Bonds3

About (2R,3R,4R,5R)-2-(3-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol

(2R,3R,4R,5R)-2-(3-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol (PubChem CID 44570116) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(3-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(3-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol
PubChem CID44570116
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name(2R,3R,4R,5R)-2-(3-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol
SMILESCOc1ccc([C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)N2C)cc1O
InChIInChI=1S/C13H19NO5/c1-14-8(6-15)12(17)13(18)11(14)7-3-4-10(19-2)9(16)5-7/h3-5,8,11-13,15-18H,6H2,1-2H3/t8-,11-,12-,13-/m1/s1
InChIKeyHTCGMHROFKRTOU-HUXSOILUSA-N
XLogP-0.53
TPSA93.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4R,5R)-2-(3-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol with MolForge

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Related Compounds

(2R,3R,4R,5S)-2-(3,4-dimethoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol
CID 933141
5-(1,3-dimethyl-2H-benzimidazol-2-yl)-2-methoxyphenol
CID 914373
5-(3-hydroxy-4-methoxyphenyl)-1,3-dimethylimidazolidine-2,4-dione
CID 82119257
(4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 131974440
(3S,4R)-3-(chloromethyl)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 162667268
4-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-(3-methylbutanoyl)-1-propyl-2H-pyrrol-5-one
CID 108664085
trans-(1S,3S)-3-(3-hydroxy-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 178199478
5-(aminomethyl)-2-methoxyphenol
CID 1132998
2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol
CID 71524985
2-methoxy-5-(thian-4-yl)phenol
CID 84689296
[(2S,3R)-3-(3,4-dimethoxyphenyl)-4-(3-methylbutyl)morpholin-2-yl]methanol
CID 134706396
dimethyl 4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 700466

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(3-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-(3-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol (CID 44570116) is (2R,3R,4R,5R)-2-(3-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(3-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-(3-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol is COc1ccc([C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)N2C)cc1O.
What is the InChIKey of (2R,3R,4R,5R)-2-(3-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol?
The InChIKey is HTCGMHROFKRTOU-HUXSOILUSA-N. The full InChI is InChI=1S/C13H19NO5/c1-14-8(6-15)12(17)13(18)11(14)7-3-4-10(19-2)9(16)5-7/h3-5,8,11-13,15-18H,6H2,1-2H3/t8-,11-,12-,13-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(3-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol?
(2R,3R,4R,5R)-2-(3-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol has a molecular weight of 269.30 g/mol, XLogP of -0.53, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(3-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol is sourced from PubChem (CID 44570116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).