5-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid

C20H22N2O5 — CID 118793424

IUPAC5-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CCc2ccccc2)cc(C(=O)N2CCC[C@@H]2CO)c1=O
InChIInChI=1S/C20H22N2O5/c23-13-15-7-4-9-22(15)19(25)16-11-21(12-17(18(16)24)20(26)27)10-8-14-5-2-1-3-6-14/h1-3,5-6,11-12,15,23H,4,7-10,13H2,(H,26,27)/t15-/m1/s1
InChIKeyRUUISMPUCALOPP-OAHLLOKOSA-N
MW370.41 g/mol
LogP1.39
Rot. Bonds6

About 5-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid

5-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid (PubChem CID 118793424) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid
PubChem CID118793424
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name5-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CCc2ccccc2)cc(C(=O)N2CCC[C@@H]2CO)c1=O
InChIInChI=1S/C20H22N2O5/c23-13-15-7-4-9-22(15)19(25)16-11-21(12-17(18(16)24)20(26)27)10-8-14-5-2-1-3-6-14/h1-3,5-6,11-12,15,23H,4,7-10,13H2,(H,26,27)/t15-/m1/s1
InChIKeyRUUISMPUCALOPP-OAHLLOKOSA-N
XLogP1.39
TPSA99.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid with MolForge

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Related Compounds

N-cyclooctyl-5-[(2R)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 42425389
(2S)-2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 107217869
(2S)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 107218083
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone
CID 66261712
3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
CID 103337686
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 14622137
3-phenylpropanoyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboperoxoate
CID 57147808
(2-anilinophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 54043507
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 79027798
[2-(dimethylamino)phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110473297
3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 66262185

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid (CID 118793424) is 5-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid is O=C(O)c1cn(CCc2ccccc2)cc(C(=O)N2CCC[C@@H]2CO)c1=O.
What is the InChIKey of 5-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid?
The InChIKey is RUUISMPUCALOPP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N2O5/c23-13-15-7-4-9-22(15)19(25)16-11-21(12-17(18(16)24)20(26)27)10-8-14-5-2-1-3-6-14/h1-3,5-6,11-12,15,23H,4,7-10,13H2,(H,26,27)/t15-/m1/s1.
What are the key properties of 5-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid?
5-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 118793424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).