(2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyrrolidine-2-carboxylic acid

C21H23NO3 — CID 11256209

IUPAC(2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1CCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO3/c23-18-14-20(21(24)25)22(15-18)13-7-12-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-12,18,20,23H,7,13-15H2,(H,24,25)/t18-,20+/m1/s1
InChIKeyAIAVVLSHFBZLKB-QUCCMNQESA-N
MW337.42 g/mol
LogP3.03
Rot. Bonds6

About (2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 11256209) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID11256209
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name(2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1CCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO3/c23-18-14-20(21(24)25)22(15-18)13-7-12-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-12,18,20,23H,7,13-15H2,(H,24,25)/t18-,20+/m1/s1
InChIKeyAIAVVLSHFBZLKB-QUCCMNQESA-N
XLogP3.03
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 11256209) is (2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@H](O)CN1CCC=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is AIAVVLSHFBZLKB-QUCCMNQESA-N. The full InChI is InChI=1S/C21H23NO3/c23-18-14-20(21(24)25)22(15-18)13-7-12-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-12,18,20,23H,7,13-15H2,(H,24,25)/t18-,20+/m1/s1.
What are the key properties of (2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 337.42 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11256209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).