(2R,3S)-1-benzyl-2-methyl-2,3-bis(phenylmethoxy)pyrrolidine

C26H29NO2 — CID 90471286

IUPAC(2R,3S)-1-benzyl-2-methyl-2,3-bis(phenylmethoxy)pyrrolidine
SMILESC[C@@]1(OCc2ccccc2)[C@@H](OCc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C26H29NO2/c1-26(29-21-24-15-9-4-10-16-24)25(28-20-23-13-7-3-8-14-23)17-18-27(26)19-22-11-5-2-6-12-22/h2-16,25H,17-21H2,1H3/t25-,26+/m0/s1
InChIKeyMQPBJPFBBXFAPH-IZZNHLLZSA-N
MW387.52 g/mol
LogP5.41
Rot. Bonds8

About (2R,3S)-1-benzyl-2-methyl-2,3-bis(phenylmethoxy)pyrrolidine

(2R,3S)-1-benzyl-2-methyl-2,3-bis(phenylmethoxy)pyrrolidine (PubChem CID 90471286) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is (2R,3S)-1-benzyl-2-methyl-2,3-bis(phenylmethoxy)pyrrolidine.

Molecular Properties

Compound Name(2R,3S)-1-benzyl-2-methyl-2,3-bis(phenylmethoxy)pyrrolidine
PubChem CID90471286
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name(2R,3S)-1-benzyl-2-methyl-2,3-bis(phenylmethoxy)pyrrolidine
SMILESC[C@@]1(OCc2ccccc2)[C@@H](OCc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C26H29NO2/c1-26(29-21-24-15-9-4-10-16-24)25(28-20-23-13-7-3-8-14-23)17-18-27(26)19-22-11-5-2-6-12-22/h2-16,25H,17-21H2,1H3/t25-,26+/m0/s1
InChIKeyMQPBJPFBBXFAPH-IZZNHLLZSA-N
XLogP5.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-benzyl-2-methyl-2,3-bis(phenylmethoxy)pyrrolidine?
The IUPAC name of (2R,3S)-1-benzyl-2-methyl-2,3-bis(phenylmethoxy)pyrrolidine (CID 90471286) is (2R,3S)-1-benzyl-2-methyl-2,3-bis(phenylmethoxy)pyrrolidine.
What is the SMILES notation for (2R,3S)-1-benzyl-2-methyl-2,3-bis(phenylmethoxy)pyrrolidine?
The canonical SMILES for (2R,3S)-1-benzyl-2-methyl-2,3-bis(phenylmethoxy)pyrrolidine is C[C@@]1(OCc2ccccc2)[C@@H](OCc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of (2R,3S)-1-benzyl-2-methyl-2,3-bis(phenylmethoxy)pyrrolidine?
The InChIKey is MQPBJPFBBXFAPH-IZZNHLLZSA-N. The full InChI is InChI=1S/C26H29NO2/c1-26(29-21-24-15-9-4-10-16-24)25(28-20-23-13-7-3-8-14-23)17-18-27(26)19-22-11-5-2-6-12-22/h2-16,25H,17-21H2,1H3/t25-,26+/m0/s1.
What are the key properties of (2R,3S)-1-benzyl-2-methyl-2,3-bis(phenylmethoxy)pyrrolidine?
(2R,3S)-1-benzyl-2-methyl-2,3-bis(phenylmethoxy)pyrrolidine has a molecular weight of 387.52 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-benzyl-2-methyl-2,3-bis(phenylmethoxy)pyrrolidine is sourced from PubChem (CID 90471286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).