1-benzhydryl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol

C19H23NO4 — CID 123659205

IUPAC1-benzhydryl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
SMILESOCC1C(O)C(O)C(CO)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO4/c21-11-15-18(23)19(24)16(12-22)20(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-19,21-24H,11-12H2
InChIKeyVWTMBCHKRFCFFM-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.54
Rot. Bonds5

About 1-benzhydryl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol

1-benzhydryl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol (PubChem CID 123659205) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-benzhydryl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-benzhydryl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
PubChem CID123659205
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name1-benzhydryl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
SMILESOCC1C(O)C(O)C(CO)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO4/c21-11-15-18(23)19(24)16(12-22)20(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-19,21-24H,11-12H2
InChIKeyVWTMBCHKRFCFFM-UHFFFAOYSA-N
XLogP0.54
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-benzhydryl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol (CID 123659205) is 1-benzhydryl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-benzhydryl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-benzhydryl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol is OCC1C(O)C(O)C(CO)N1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol?
The InChIKey is VWTMBCHKRFCFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c21-11-15-18(23)19(24)16(12-22)20(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-19,21-24H,11-12H2.
What are the key properties of 1-benzhydryl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol?
1-benzhydryl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol has a molecular weight of 329.40 g/mol, XLogP of 0.54, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 123659205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).