(2S)-N-cyclopentyl-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide

C19H26FN3O2 — CID 75411442

IUPAC(2S)-N-cyclopentyl-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](c1ccccc1F)N1CCC[C@H]1C(=O)NC1CCCC1
InChIInChI=1S/C19H26FN3O2/c1-21-19(25)17(14-9-4-5-10-15(14)20)23-12-6-11-16(23)18(24)22-13-7-2-3-8-13/h4-5,9-10,13,16-17H,2-3,6-8,11-12H2,1H3,(H,21,25)(H,22,24)/t16-,17+/m0/s1
InChIKeyAQMOLXMPMDJZHK-DLBZAZTESA-N
MW347.43 g/mol
LogP2.14
Rot. Bonds5

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

(2S)-N-cyclopentyl-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 75411442) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID75411442
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name(2S)-N-cyclopentyl-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](c1ccccc1F)N1CCC[C@H]1C(=O)NC1CCCC1
InChIInChI=1S/C19H26FN3O2/c1-21-19(25)17(14-9-4-5-10-15(14)20)23-12-6-11-16(23)18(24)22-13-7-2-3-8-13/h4-5,9-10,13,16-17H,2-3,6-8,11-12H2,1H3,(H,21,25)(H,22,24)/t16-,17+/m0/s1
InChIKeyAQMOLXMPMDJZHK-DLBZAZTESA-N
XLogP2.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopentyl-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide (CID 75411442) is (2S)-N-cyclopentyl-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopentyl-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopentyl-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide is CNC(=O)[C@@H](c1ccccc1F)N1CCC[C@H]1C(=O)NC1CCCC1.
What is the InChIKey of (2S)-N-cyclopentyl-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is AQMOLXMPMDJZHK-DLBZAZTESA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-21-19(25)17(14-9-4-5-10-15(14)20)23-12-6-11-16(23)18(24)22-13-7-2-3-8-13/h4-5,9-10,13,16-17H,2-3,6-8,11-12H2,1H3,(H,21,25)(H,22,24)/t16-,17+/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide?
(2S)-N-cyclopentyl-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 347.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75411442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).