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

C26H29NO3 — CID 22842874

IUPAC(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine
SMILESc1ccc(COC[C@H]2NC[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C26H29NO3/c1-4-10-21(11-5-1)17-28-20-24-26(30-19-23-14-8-3-9-15-23)25(16-27-24)29-18-22-12-6-2-7-13-22/h1-15,24-27H,16-20H2/t24-,25-,26-/m1/s1
InChIKeyGNMPTPJZKQHGBR-TWJOJJKGSA-N
MW403.52 g/mol
LogP4.35
Rot. Bonds10

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

(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine (PubChem CID 22842874) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is (2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine
PubChem CID22842874
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine
SMILESc1ccc(COC[C@H]2NC[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C26H29NO3/c1-4-10-21(11-5-1)17-28-20-24-26(30-19-23-14-8-3-9-15-23)25(16-27-24)29-18-22-12-6-2-7-13-22/h1-15,24-27H,16-20H2/t24-,25-,26-/m1/s1
InChIKeyGNMPTPJZKQHGBR-TWJOJJKGSA-N
XLogP4.35
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine?
The IUPAC name of (2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine (CID 22842874) is (2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine.
What is the SMILES notation for (2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine?
The canonical SMILES for (2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine is c1ccc(COC[C@H]2NC[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of (2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine?
The InChIKey is GNMPTPJZKQHGBR-TWJOJJKGSA-N. The full InChI is InChI=1S/C26H29NO3/c1-4-10-21(11-5-1)17-28-20-24-26(30-19-23-14-8-3-9-15-23)25(16-27-24)29-18-22-12-6-2-7-13-22/h1-15,24-27H,16-20H2/t24-,25-,26-/m1/s1.
What are the key properties of (2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine?
(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine has a molecular weight of 403.52 g/mol, XLogP of 4.35, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine is sourced from PubChem (CID 22842874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).