tert-butyl (3R,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate;tert-butyl (3S)-3-fluoro-4-[[(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]amino]pyrrolidine-1-carboxylate;(2R,6R)-N-[(4S)-4-fluoropyrrolidin-3-yl]-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methane

C69H92F3I3N12O11 — CID 167541342

About tert-butyl (3R,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate;tert-butyl (3S)-3-fluoro-4-[[(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]amino]pyrrolidine-1-carboxylate;(2R,6R)-N-[(4S)-4-fluoropyrrolidin-3-yl]-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methane

tert-butyl (3R,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate;tert-butyl (3S)-3-fluoro-4-[[(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]amino]pyrrolidine-1-carboxylate;(2R,6R)-N-[(4S)-4-fluoropyrrolidin-3-yl]-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methane (PubChem CID 167541342) has the molecular formula C69H92F3I3N12O11 and a molecular weight of 1703.27 g/mol. Its IUPAC name is tert-butyl (3R,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate;tert-butyl (3S)-3-fluoro-4-[[(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]amino]pyrrolidine-1-carboxylate;(2R,6R)-N-[(4S)-4-fluoropyrrolidin-3-yl]-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methane.

Molecular Properties

• Compound Name: tert-butyl (3R,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate;tert-butyl (3S)-3-fluoro-4-[[(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]amino]pyrrolidine-1-carboxylate;(2R,6R)-N-[(4S)-4-fluoropyrrolidin-3-yl]-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methane
• PubChem CID: 167541342
• Molecular Formula: C69H92F3I3N12O11
• Molecular Weight: 1703.27 g/mol
• Exact Mass: 1702.41
• IUPAC Name: tert-butyl (3R,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate;tert-butyl (3S)-3-fluoro-4-[[(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]amino]pyrrolidine-1-carboxylate;(2R,6R)-N-[(4S)-4-fluoropyrrolidin-3-yl]-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methane
• SMILES: C.C.CC(C)(C)OC(=O)N1C[C@@H](N)[C@@H](F)C1.C[C@@H]1CN(c2ccc(I)c3ncccc23)C[C@H](C(=O)NC2CN(C(=O)OC(C)(C)C)C[C@@H]2F)O1.C[C@@H]1CN(c2ccc(I)c3ncccc23)C[C@H](C(=O)NC2CNC[C@@H]2F)O1.C[C@@H]1CN(c2ccc(I)c3ncccc23)C[C@H](C(=O)O)O1
• InChI: InChI=1S/C24H30FIN4O4.C19H22FIN4O2.C15H15IN2O3.C9H17FN2O2.2CH4/c1-14-10-29(19-8-7-17(26)21-15(19)6-5-9-27-21)13-20(33-14)22(31)28-18-12-30(11-16(18)25)23(32)34-24(2,3)4;1-11-9-25(16-5-4-14(21)18-12(16)3-2-6-23-18)10-17(27-11)19(26)24-15-8-22-7-13(15)20;1-9-7-18(8-13(21-9)15(19)20)12-5-4-11(16)14-10(12)3-2-6-17-14;1-9(2,3)14-8(13)12-4-6(10)7(11)5-12;;/h5-9,14,16,18,20H,10-13H2,1-4H3,(H,28,31);2-6,11,13,15,17,22H,7-10H2,1H3,(H,24,26);2-6,9,13H,7-8H2,1H3,(H,19,20);6-7H,4-5,11H2,1-3H3;2*1H4/t14-,16+,18?,20-;11-,13+,15?,17-;9-,13-;6-,7+;;/m1110../s1
• InChIKey: BFRYIOWGGMIEPX-JGTICOQGSA-N
• XLogP: 10.06
• TPSA: 268.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1703.27
LogP ≤ 5	10.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate;tert-butyl (3S)-3-fluoro-4-[[(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]amino]pyrrolidine-1-carboxylate;(2R,6R)-N-[(4S)-4-fluoropyrrolidin-3-yl]-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methane?

The IUPAC name of tert-butyl (3R,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate;tert-butyl (3S)-3-fluoro-4-[[(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]amino]pyrrolidine-1-carboxylate;(2R,6R)-N-[(4S)-4-fluoropyrrolidin-3-yl]-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methane (CID 167541342) is tert-butyl (3R,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate;tert-butyl (3S)-3-fluoro-4-[[(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]amino]pyrrolidine-1-carboxylate;(2R,6R)-N-[(4S)-4-fluoropyrrolidin-3-yl]-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methane.

What is the SMILES notation for tert-butyl (3R,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate;tert-butyl (3S)-3-fluoro-4-[[(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]amino]pyrrolidine-1-carboxylate;(2R,6R)-N-[(4S)-4-fluoropyrrolidin-3-yl]-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methane?

The canonical SMILES for tert-butyl (3R,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate;tert-butyl (3S)-3-fluoro-4-[[(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]amino]pyrrolidine-1-carboxylate;(2R,6R)-N-[(4S)-4-fluoropyrrolidin-3-yl]-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methane is C.C.CC(C)(C)OC(=O)N1C[C@@H](N)[C@@H](F)C1.C[C@@H]1CN(c2ccc(I)c3ncccc23)C[C@H](C(=O)NC2CN(C(=O)OC(C)(C)C)C[C@@H]2F)O1.C[C@@H]1CN(c2ccc(I)c3ncccc23)C[C@H](C(=O)NC2CNC[C@@H]2F)O1.C[C@@H]1CN(c2ccc(I)c3ncccc23)C[C@H](C(=O)O)O1.

What is the InChIKey of tert-butyl (3R,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate;tert-butyl (3S)-3-fluoro-4-[[(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]amino]pyrrolidine-1-carboxylate;(2R,6R)-N-[(4S)-4-fluoropyrrolidin-3-yl]-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methane?

The InChIKey is BFRYIOWGGMIEPX-JGTICOQGSA-N. The full InChI is InChI=1S/C24H30FIN4O4.C19H22FIN4O2.C15H15IN2O3.C9H17FN2O2.2CH4/c1-14-10-29(19-8-7-17(26)21-15(19)6-5-9-27-21)13-20(33-14)22(31)28-18-12-30(11-16(18)25)23(32)34-24(2,3)4;1-11-9-25(16-5-4-14(21)18-12(16)3-2-6-23-18)10-17(27-11)19(26)24-15-8-22-7-13(15)20;1-9-7-18(8-13(21-9)15(19)20)12-5-4-11(16)14-10(12)3-2-6-17-14;1-9(2,3)14-8(13)12-4-6(10)7(11)5-12;;/h5-9,14,16,18,20H,10-13H2,1-4H3,(H,28,31);2-6,11,13,15,17,22H,7-10H2,1H3,(H,24,26);2-6,9,13H,7-8H2,1H3,(H,19,20);6-7H,4-5,11H2,1-3H3;2*1H4/t14-,16+,18?,20-;11-,13+,15?,17-;9-,13-;6-,7+;;/m1110../s1.

What are the key properties of tert-butyl (3R,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate;tert-butyl (3S)-3-fluoro-4-[[(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]amino]pyrrolidine-1-carboxylate;(2R,6R)-N-[(4S)-4-fluoropyrrolidin-3-yl]-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methane?

tert-butyl (3R,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate;tert-butyl (3S)-3-fluoro-4-[[(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]amino]pyrrolidine-1-carboxylate;(2R,6R)-N-[(4S)-4-fluoropyrrolidin-3-yl]-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methane has a molecular weight of 1703.27 g/mol, XLogP of 10.06, 8 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate;tert-butyl (3S)-3-fluoro-4-[[(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]amino]pyrrolidine-1-carboxylate;(2R,6R)-N-[(4S)-4-fluoropyrrolidin-3-yl]-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methane is sourced from PubChem (CID 167541342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).