(2S,3R,4R,5R)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol

C12H17NO3 — CID 134964565

IUPAC(2S,3R,4R,5R)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol
SMILESCOc1ccc([C@@H]2N[C@H](C)[C@@H](O)[C@@H]2O)cc1
InChIInChI=1S/C12H17NO3/c1-7-11(14)12(15)10(13-7)8-3-5-9(16-2)6-4-8/h3-7,10-15H,1-2H3/t7-,10+,11-,12-/m1/s1
InChIKeyRMKWLQBEDHKISQ-UYZPKGHCSA-N
MW223.27 g/mol
LogP0.45
Rot. Bonds2

About (2S,3R,4R,5R)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol

(2S,3R,4R,5R)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol (PubChem CID 134964565) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (2S,3R,4R,5R)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol
PubChem CID134964565
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(2S,3R,4R,5R)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol
SMILESCOc1ccc([C@@H]2N[C@H](C)[C@@H](O)[C@@H]2O)cc1
InChIInChI=1S/C12H17NO3/c1-7-11(14)12(15)10(13-7)8-3-5-9(16-2)6-4-8/h3-7,10-15H,1-2H3/t7-,10+,11-,12-/m1/s1
InChIKeyRMKWLQBEDHKISQ-UYZPKGHCSA-N
XLogP0.45
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,4,6,8-tetrakis(4-methoxyphenyl)-3,7-diazabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine
CID 52946680
(2S,3R,4R,6R)-3-ethyl-2,6-bis(4-methoxyphenyl)piperidin-4-ol
CID 6587283
(2S,3R,4S,5S)-5-(4-methoxyphenyl)-2,4-dimethyloxolan-3-ol
CID 102589589
(2S,3S,5R,6R)-4-benzyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-ol
CID 7112352
(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one
CID 7021020
(2R,3R)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-pyridin-6-one
CID 10330960
4-amino-5-(4-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 154983197
(3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one
CID 11171849
3-amino-4-(4-methoxyphenyl)azetidin-2-one
CID 82402822
N-[2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine
CID 75164270
(2R,3R,5S,6S)-2,6-bis(4-methoxyphenyl)-3,5-diphenylpiperidin-4-one
CID 40806325
2,2-diethyl-3-(4-methoxyphenyl)-4-methylcyclobutan-1-ol
CID 81422138

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol?
The IUPAC name of (2S,3R,4R,5R)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol (CID 134964565) is (2S,3R,4R,5R)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5R)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol?
The canonical SMILES for (2S,3R,4R,5R)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol is COc1ccc([C@@H]2N[C@H](C)[C@@H](O)[C@@H]2O)cc1.
What is the InChIKey of (2S,3R,4R,5R)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol?
The InChIKey is RMKWLQBEDHKISQ-UYZPKGHCSA-N. The full InChI is InChI=1S/C12H17NO3/c1-7-11(14)12(15)10(13-7)8-3-5-9(16-2)6-4-8/h3-7,10-15H,1-2H3/t7-,10+,11-,12-/m1/s1.
What are the key properties of (2S,3R,4R,5R)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol?
(2S,3R,4R,5R)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol has a molecular weight of 223.27 g/mol, XLogP of 0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol is sourced from PubChem (CID 134964565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).