(2R,3S,4S)-4-[(3,4-diphenylphenyl)methoxy]-3-hydroxypyrrolidine-2-carboxylic acid

C24H23NO4 — CID 118161508

IUPAC(2R,3S,4S)-4-[(3,4-diphenylphenyl)methoxy]-3-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1NC[C@H](OCc2ccc(-c3ccccc3)c(-c3ccccc3)c2)[C@H]1O
InChIInChI=1S/C24H23NO4/c26-23-21(14-25-22(23)24(27)28)29-15-16-11-12-19(17-7-3-1-4-8-17)20(13-16)18-9-5-2-6-10-18/h1-13,21-23,25-26H,14-15H2,(H,27,28)/t21-,22+,23+/m0/s1
InChIKeyKZGJXJWCSOEDRJ-YTFSRNRJSA-N
MW389.45 g/mol
LogP3.32
Rot. Bonds6

About (2R,3S,4S)-4-[(3,4-diphenylphenyl)methoxy]-3-hydroxypyrrolidine-2-carboxylic acid

(2R,3S,4S)-4-[(3,4-diphenylphenyl)methoxy]-3-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 118161508) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is (2R,3S,4S)-4-[(3,4-diphenylphenyl)methoxy]-3-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S,4S)-4-[(3,4-diphenylphenyl)methoxy]-3-hydroxypyrrolidine-2-carboxylic acid
PubChem CID118161508
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name(2R,3S,4S)-4-[(3,4-diphenylphenyl)methoxy]-3-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1NC[C@H](OCc2ccc(-c3ccccc3)c(-c3ccccc3)c2)[C@H]1O
InChIInChI=1S/C24H23NO4/c26-23-21(14-25-22(23)24(27)28)29-15-16-11-12-19(17-7-3-1-4-8-17)20(13-16)18-9-5-2-6-10-18/h1-13,21-23,25-26H,14-15H2,(H,27,28)/t21-,22+,23+/m0/s1
InChIKeyKZGJXJWCSOEDRJ-YTFSRNRJSA-N
XLogP3.32
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-4-[(3,4-diphenylphenyl)methoxy]-3-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,3S,4S)-4-[(3,4-diphenylphenyl)methoxy]-3-hydroxypyrrolidine-2-carboxylic acid (CID 118161508) is (2R,3S,4S)-4-[(3,4-diphenylphenyl)methoxy]-3-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,3S,4S)-4-[(3,4-diphenylphenyl)methoxy]-3-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,3S,4S)-4-[(3,4-diphenylphenyl)methoxy]-3-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1NC[C@H](OCc2ccc(-c3ccccc3)c(-c3ccccc3)c2)[C@H]1O.
What is the InChIKey of (2R,3S,4S)-4-[(3,4-diphenylphenyl)methoxy]-3-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is KZGJXJWCSOEDRJ-YTFSRNRJSA-N. The full InChI is InChI=1S/C24H23NO4/c26-23-21(14-25-22(23)24(27)28)29-15-16-11-12-19(17-7-3-1-4-8-17)20(13-16)18-9-5-2-6-10-18/h1-13,21-23,25-26H,14-15H2,(H,27,28)/t21-,22+,23+/m0/s1.
What are the key properties of (2R,3S,4S)-4-[(3,4-diphenylphenyl)methoxy]-3-hydroxypyrrolidine-2-carboxylic acid?
(2R,3S,4S)-4-[(3,4-diphenylphenyl)methoxy]-3-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 389.45 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-4-[(3,4-diphenylphenyl)methoxy]-3-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 118161508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).