(3S,4R)-4-phenyl-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid

C19H20N2O3 — CID 70756232

IUPAC(3S,4R)-4-phenyl-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)CCc2ccccn2)C[C@H]1c1ccccc1
InChIInChI=1S/C19H20N2O3/c22-18(10-9-15-8-4-5-11-20-15)21-12-16(17(13-21)19(23)24)14-6-2-1-3-7-14/h1-8,11,16-17H,9-10,12-13H2,(H,23,24)/t16-,17+/m0/s1
InChIKeyWGKPXJFQCYHAKW-DLBZAZTESA-N
MW324.38 g/mol
LogP2.34
Rot. Bonds5

About (3S,4R)-4-phenyl-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid

(3S,4R)-4-phenyl-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid (PubChem CID 70756232) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3S,4R)-4-phenyl-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-4-phenyl-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid
PubChem CID70756232
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(3S,4R)-4-phenyl-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)CCc2ccccn2)C[C@H]1c1ccccc1
InChIInChI=1S/C19H20N2O3/c22-18(10-9-15-8-4-5-11-20-15)21-12-16(17(13-21)19(23)24)14-6-2-1-3-7-14/h1-8,11,16-17H,9-10,12-13H2,(H,23,24)/t16-,17+/m0/s1
InChIKeyWGKPXJFQCYHAKW-DLBZAZTESA-N
XLogP2.34
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenyl-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4R)-4-phenyl-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid (CID 70756232) is (3S,4R)-4-phenyl-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4R)-4-phenyl-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4R)-4-phenyl-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CN(C(=O)CCc2ccccn2)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-4-phenyl-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is WGKPXJFQCYHAKW-DLBZAZTESA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18(10-9-15-8-4-5-11-20-15)21-12-16(17(13-21)19(23)24)14-6-2-1-3-7-14/h1-8,11,16-17H,9-10,12-13H2,(H,23,24)/t16-,17+/m0/s1.
What are the key properties of (3S,4R)-4-phenyl-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid?
(3S,4R)-4-phenyl-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenyl-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 70756232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).