(2R,3R,4R,5R)-1-hydroxy-2-(4-methoxyphenyl)-5-methyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine

C20H33NO4 — CID 11428095

IUPAC(2R,3R,4R,5R)-1-hydroxy-2-(4-methoxyphenyl)-5-methyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine
SMILESCOc1ccc([C@@H]2[C@@H](OC(C)(C)C)[C@H](OC(C)(C)C)[C@@H](C)N2O)cc1
InChIInChI=1S/C20H33NO4/c1-13-17(24-19(2,3)4)18(25-20(5,6)7)16(21(13)22)14-9-11-15(23-8)12-10-14/h9-13,16-18,22H,1-8H3/t13-,16-,17-,18-/m1/s1
InChIKeyKLLSYERVFIYZRE-BNEJOLLZSA-N
MW351.49 g/mol
LogP4.20
Rot. Bonds4

About (2R,3R,4R,5R)-1-hydroxy-2-(4-methoxyphenyl)-5-methyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine

(2R,3R,4R,5R)-1-hydroxy-2-(4-methoxyphenyl)-5-methyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine (PubChem CID 11428095) has the molecular formula C20H33NO4 and a molecular weight of 351.49 g/mol. Its IUPAC name is (2R,3R,4R,5R)-1-hydroxy-2-(4-methoxyphenyl)-5-methyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine.

Molecular Properties

Compound Name(2R,3R,4R,5R)-1-hydroxy-2-(4-methoxyphenyl)-5-methyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine
PubChem CID11428095
Molecular FormulaC20H33NO4
Molecular Weight351.49 g/mol
Exact Mass351.24
IUPAC Name(2R,3R,4R,5R)-1-hydroxy-2-(4-methoxyphenyl)-5-methyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine
SMILESCOc1ccc([C@@H]2[C@@H](OC(C)(C)C)[C@H](OC(C)(C)C)[C@@H](C)N2O)cc1
InChIInChI=1S/C20H33NO4/c1-13-17(24-19(2,3)4)18(25-20(5,6)7)16(21(13)22)14-9-11-15(23-8)12-10-14/h9-13,16-18,22H,1-8H3/t13-,16-,17-,18-/m1/s1
InChIKeyKLLSYERVFIYZRE-BNEJOLLZSA-N
XLogP4.20
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4R,5R)-1-hydroxy-2-(4-methoxyphenyl)-5-methyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S)-1-tert-butyl-3-(4-methoxyphenyl)-4-methylpyrrolidine
CID 142953909
(3R,4S)-4-(4-methoxyphenyl)-3-methyl-1-propan-2-ylazetidin-2-one
CID 101417373
(4S,5R)-4,5-bis(4-methoxyphenyl)-1,3-diphenylimidazolidine
CID 10961096
(3S,4R)-4-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)-1,2,4,3-trioxazolidin-3-yl]-3-[(2-methylpropan-2-yl)oxy]azetidin-2-one
CID 10477787
1-tert-butyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 72815396
(2R,4aS,7aR)-1-hydroxy-2-(4-methoxyphenyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 102517136
(2R,4aR,7aR)-1-hydroxy-2-(4-methoxyphenyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 102517135
(3S,4R)-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 2762175
N-[(2R,6S)-1-hydroxy-2,6-bis(4-methoxyphenyl)piperidin-4-ylidene]hydroxylamine
CID 101045950
1-methoxy-4-[3-methyl-2-(4-methylphenyl)cyclobutyl]benzene
CID 132838745
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 11392395
(2S,3R)-1,4-diethyl-2,3-bis(4-methoxyphenyl)piperazine
CID 11013665

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-1-hydroxy-2-(4-methoxyphenyl)-5-methyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine?
The IUPAC name of (2R,3R,4R,5R)-1-hydroxy-2-(4-methoxyphenyl)-5-methyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine (CID 11428095) is (2R,3R,4R,5R)-1-hydroxy-2-(4-methoxyphenyl)-5-methyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine.
What is the SMILES notation for (2R,3R,4R,5R)-1-hydroxy-2-(4-methoxyphenyl)-5-methyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine?
The canonical SMILES for (2R,3R,4R,5R)-1-hydroxy-2-(4-methoxyphenyl)-5-methyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine is COc1ccc([C@@H]2[C@@H](OC(C)(C)C)[C@H](OC(C)(C)C)[C@@H](C)N2O)cc1.
What is the InChIKey of (2R,3R,4R,5R)-1-hydroxy-2-(4-methoxyphenyl)-5-methyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine?
The InChIKey is KLLSYERVFIYZRE-BNEJOLLZSA-N. The full InChI is InChI=1S/C20H33NO4/c1-13-17(24-19(2,3)4)18(25-20(5,6)7)16(21(13)22)14-9-11-15(23-8)12-10-14/h9-13,16-18,22H,1-8H3/t13-,16-,17-,18-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-1-hydroxy-2-(4-methoxyphenyl)-5-methyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine?
(2R,3R,4R,5R)-1-hydroxy-2-(4-methoxyphenyl)-5-methyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine has a molecular weight of 351.49 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-1-hydroxy-2-(4-methoxyphenyl)-5-methyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine is sourced from PubChem (CID 11428095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).