(2R)-1-hydroxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine

C26H29NO4 — CID 134851716

IUPAC(2R)-1-hydroxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine
SMILESON1CC(OCc2ccccc2)C(OCc2ccccc2)[C@H]1COCc1ccccc1
InChIInChI=1S/C26H29NO4/c28-27-16-25(30-18-22-12-6-2-7-13-22)26(31-19-23-14-8-3-9-15-23)24(27)20-29-17-21-10-4-1-5-11-21/h1-15,24-26,28H,16-20H2/t24-,25?,26?/m1/s1
InChIKeyRBKFNYFRXFFVMC-JDSVYEKJSA-N
MW419.52 g/mol
LogP4.45
Rot. Bonds10

About (2R)-1-hydroxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine

(2R)-1-hydroxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine (PubChem CID 134851716) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is (2R)-1-hydroxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-hydroxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine
PubChem CID134851716
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Name(2R)-1-hydroxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine
SMILESON1CC(OCc2ccccc2)C(OCc2ccccc2)[C@H]1COCc1ccccc1
InChIInChI=1S/C26H29NO4/c28-27-16-25(30-18-22-12-6-2-7-13-22)26(31-19-23-14-8-3-9-15-23)24(27)20-29-17-21-10-4-1-5-11-21/h1-15,24-26,28H,16-20H2/t24-,25?,26?/m1/s1
InChIKeyRBKFNYFRXFFVMC-JDSVYEKJSA-N
XLogP4.45
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Cyclohexyl-3-(diphenylmethoxy)pyrrolidine
CID 3025360
1-Benzhydryloxy-3-(2,5-dimethylpyrrolidin-1-yl)propan-2-ol
CID 14810469
(2r,3r,4r)-3,4-Bis(benzyloxy)-2-(benzyloxymethyl)-3,4-dihydro-2h-pyrrole 1-oxide
CID 11350584
Pyrrolidine, 3-(phenylmethoxy)-2-(phenylmethoxy)methyl-1-(phenylmethyl)-, (2R,3S)-
CID 90471286
Indolizine, octahydro-8-methoxy-1,6,7-tris(phenylmethoxy)-, 1S-(1alpha,6beta,7alpha,8beta,8abeta)-
CID 97546065
(2S,3S,4S,5S)-2-[2-(4-fluorophenyl)ethynyl]-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine
CID 101907720
(2R,3S,4S)-2-ethenyl-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine
CID 10592150
(3S)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenylmethoxy-3,6-dihydrooxazine
CID 11164931
(3R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenylmethoxy-3,6-dihydrooxazine
CID 11315037
(1R,2R,3R,8R)-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 11339728
(2R,3R,4R)-3,4-dibenzyloxy-2-benzyloxymethylpyrrolidine
CID 22842874
(2s,3s,4s)-3,4-Bis(benzyloxy)-2-(benzyloxymethyl)-3,4-dihydro-2h-pyrrole 1-oxide
CID 46188976

Frequently Asked Questions

What is the IUPAC name of (2R)-1-hydroxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine?
The IUPAC name of (2R)-1-hydroxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine (CID 134851716) is (2R)-1-hydroxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine.
What is the SMILES notation for (2R)-1-hydroxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine?
The canonical SMILES for (2R)-1-hydroxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine is ON1CC(OCc2ccccc2)C(OCc2ccccc2)[C@H]1COCc1ccccc1.
What is the InChIKey of (2R)-1-hydroxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine?
The InChIKey is RBKFNYFRXFFVMC-JDSVYEKJSA-N. The full InChI is InChI=1S/C26H29NO4/c28-27-16-25(30-18-22-12-6-2-7-13-22)26(31-19-23-14-8-3-9-15-23)24(27)20-29-17-21-10-4-1-5-11-21/h1-15,24-26,28H,16-20H2/t24-,25?,26?/m1/s1.
What are the key properties of (2R)-1-hydroxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine?
(2R)-1-hydroxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine has a molecular weight of 419.52 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-hydroxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine is sourced from PubChem (CID 134851716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).