(2R)-3-[(2R,5S)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]propane-1,2-diol;hydrochloride

C23H32ClNO2 — CID 73351949

IUPAC(2R)-3-[(2R,5S)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]propane-1,2-diol;hydrochloride
SMILESCl.OC[C@H](O)CN1[C@H](CCc2ccccc2)CC[C@@H]1CCc1ccccc1
InChIInChI=1S/C23H31NO2.ClH/c25-18-23(26)17-24-21(13-11-19-7-3-1-4-8-19)15-16-22(24)14-12-20-9-5-2-6-10-20;/h1-10,21-23,25-26H,11-18H2;1H/t21-,22+,23-;/m1./s1
InChIKeyREYJDEBUUUCVQZ-HZLAGBECSA-N
MW389.97 g/mol
LogP3.86
Rot. Bonds9

About (2R)-3-[(2R,5S)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]propane-1,2-diol;hydrochloride

(2R)-3-[(2R,5S)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]propane-1,2-diol;hydrochloride (PubChem CID 73351949) has the molecular formula C23H32ClNO2 and a molecular weight of 389.97 g/mol. Its IUPAC name is (2R)-3-[(2R,5S)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]propane-1,2-diol;hydrochloride.

Molecular Properties

Compound Name(2R)-3-[(2R,5S)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]propane-1,2-diol;hydrochloride
PubChem CID73351949
Molecular FormulaC23H32ClNO2
Molecular Weight389.97 g/mol
Exact Mass389.21
IUPAC Name(2R)-3-[(2R,5S)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]propane-1,2-diol;hydrochloride
SMILESCl.OC[C@H](O)CN1[C@H](CCc2ccccc2)CC[C@@H]1CCc1ccccc1
InChIInChI=1S/C23H31NO2.ClH/c25-18-23(26)17-24-21(13-11-19-7-3-1-4-8-19)15-16-22(24)14-12-20-9-5-2-6-10-20;/h1-10,21-23,25-26H,11-18H2;1H/t21-,22+,23-;/m1./s1
InChIKeyREYJDEBUUUCVQZ-HZLAGBECSA-N
XLogP3.86
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.97
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2R,5S)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]propane-1,2-diol;hydrochloride?
The IUPAC name of (2R)-3-[(2R,5S)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]propane-1,2-diol;hydrochloride (CID 73351949) is (2R)-3-[(2R,5S)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]propane-1,2-diol;hydrochloride.
What is the SMILES notation for (2R)-3-[(2R,5S)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]propane-1,2-diol;hydrochloride?
The canonical SMILES for (2R)-3-[(2R,5S)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]propane-1,2-diol;hydrochloride is Cl.OC[C@H](O)CN1[C@H](CCc2ccccc2)CC[C@@H]1CCc1ccccc1.
What is the InChIKey of (2R)-3-[(2R,5S)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]propane-1,2-diol;hydrochloride?
The InChIKey is REYJDEBUUUCVQZ-HZLAGBECSA-N. The full InChI is InChI=1S/C23H31NO2.ClH/c25-18-23(26)17-24-21(13-11-19-7-3-1-4-8-19)15-16-22(24)14-12-20-9-5-2-6-10-20;/h1-10,21-23,25-26H,11-18H2;1H/t21-,22+,23-;/m1./s1.
What are the key properties of (2R)-3-[(2R,5S)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]propane-1,2-diol;hydrochloride?
(2R)-3-[(2R,5S)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]propane-1,2-diol;hydrochloride has a molecular weight of 389.97 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2R,5S)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]propane-1,2-diol;hydrochloride is sourced from PubChem (CID 73351949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).