(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide

C19H26FN3O3 — CID 75411459

IUPAC(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](c1ccccc1F)N1CCC[C@H]1C(=O)NC1CCOCC1
InChIInChI=1S/C19H26FN3O3/c1-21-19(25)17(14-5-2-3-6-15(14)20)23-10-4-7-16(23)18(24)22-13-8-11-26-12-9-13/h2-3,5-6,13,16-17H,4,7-12H2,1H3,(H,21,25)(H,22,24)/t16-,17+/m0/s1
InChIKeyXLLDHPTXWJFOSY-DLBZAZTESA-N
MW363.43 g/mol
LogP1.37
Rot. Bonds5

About (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide

(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide (PubChem CID 75411459) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide
PubChem CID75411459
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC Name(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](c1ccccc1F)N1CCC[C@H]1C(=O)NC1CCOCC1
InChIInChI=1S/C19H26FN3O3/c1-21-19(25)17(14-5-2-3-6-15(14)20)23-10-4-7-16(23)18(24)22-13-8-11-26-12-9-13/h2-3,5-6,13,16-17H,4,7-12H2,1H3,(H,21,25)(H,22,24)/t16-,17+/m0/s1
InChIKeyXLLDHPTXWJFOSY-DLBZAZTESA-N
XLogP1.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide (CID 75411459) is (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide is CNC(=O)[C@@H](c1ccccc1F)N1CCC[C@H]1C(=O)NC1CCOCC1.
What is the InChIKey of (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is XLLDHPTXWJFOSY-DLBZAZTESA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-21-19(25)17(14-5-2-3-6-15(14)20)23-10-4-7-16(23)18(24)22-13-8-11-26-12-9-13/h2-3,5-6,13,16-17H,4,7-12H2,1H3,(H,21,25)(H,22,24)/t16-,17+/m0/s1.
What are the key properties of (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide?
(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 75411459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).