(2S)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;(2R)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;8-[(1S,3R,5R)-3-amino-5-methylcyclohexyl]quinoxaline-5-carbonitrile;2-amino-3,3,3-trifluoropropanoic acid;methane

C58H66F9N15O4 — CID 157410408

About (2S)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;(2R)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;8-[(1S,3R,5R)-3-amino-5-methylcyclohexyl]quinoxaline-5-carbonitrile;2-amino-3,3,3-trifluoropropanoic acid;methane

(2S)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;(2R)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;8-[(1S,3R,5R)-3-amino-5-methylcyclohexyl]quinoxaline-5-carbonitrile;2-amino-3,3,3-trifluoropropanoic acid;methane (PubChem CID 157410408) has the molecular formula C58H66F9N15O4 and a molecular weight of 1208.25 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;(2R)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;8-[(1S,3R,5R)-3-amino-5-methylcyclohexyl]quinoxaline-5-carbonitrile;2-amino-3,3,3-trifluoropropanoic acid;methane.

Molecular Properties

• Compound Name: (2S)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;(2R)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;8-[(1S,3R,5R)-3-amino-5-methylcyclohexyl]quinoxaline-5-carbonitrile;2-amino-3,3,3-trifluoropropanoic acid;methane
• PubChem CID: 157410408
• Molecular Formula: C58H66F9N15O4
• Molecular Weight: 1208.25 g/mol
• Exact Mass: 1207.53
• IUPAC Name: (2S)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;(2R)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;8-[(1S,3R,5R)-3-amino-5-methylcyclohexyl]quinoxaline-5-carbonitrile;2-amino-3,3,3-trifluoropropanoic acid;methane
• SMILES: C.C[C@H]1C[C@@H](N)C[C@@H](c2ccc(C#N)c3nccnc23)C1.C[C@H]1C[C@@H](NC(=O)[C@@H](N)C(F)(F)F)C[C@@H](c2ccc(C#N)c3nccnc23)C1.C[C@H]1C[C@@H](NC(=O)[C@H](N)C(F)(F)F)C[C@@H](c2ccc(C#N)c3nccnc23)C1.NC(C(=O)O)C(F)(F)F
• InChI: InChI=1S/2C19H20F3N5O.C16H18N4.C3H4F3NO2.CH4/c2*1-10-6-12(8-13(7-10)27-18(28)17(24)19(20,21)22)14-3-2-11(9-23)15-16(14)26-5-4-25-15;1-10-6-12(8-13(18)7-10)14-3-2-11(9-17)15-16(14)20-5-4-19-15;4-3(5,6)1(7)2(8)9;/h2*2-5,10,12-13,17H,6-8,24H2,1H3,(H,27,28);2-5,10,12-13H,6-8,18H2,1H3;1H,7H2,(H,8,9);1H4/t10-,12+,13-,17+;10-,12+,13-,17-;10-,12+,13-;;/m111../s1
• InChIKey: BOFHFHJPCORKRC-NOHGJDHRSA-N
• XLogP: 8.89
• TPSA: 348.29 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1208.25
LogP ≤ 5	8.89
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;(2R)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;8-[(1S,3R,5R)-3-amino-5-methylcyclohexyl]quinoxaline-5-carbonitrile;2-amino-3,3,3-trifluoropropanoic acid;methane?

The IUPAC name of (2S)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;(2R)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;8-[(1S,3R,5R)-3-amino-5-methylcyclohexyl]quinoxaline-5-carbonitrile;2-amino-3,3,3-trifluoropropanoic acid;methane (CID 157410408) is (2S)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;(2R)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;8-[(1S,3R,5R)-3-amino-5-methylcyclohexyl]quinoxaline-5-carbonitrile;2-amino-3,3,3-trifluoropropanoic acid;methane.

What is the SMILES notation for (2S)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;(2R)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;8-[(1S,3R,5R)-3-amino-5-methylcyclohexyl]quinoxaline-5-carbonitrile;2-amino-3,3,3-trifluoropropanoic acid;methane?

The canonical SMILES for (2S)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;(2R)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;8-[(1S,3R,5R)-3-amino-5-methylcyclohexyl]quinoxaline-5-carbonitrile;2-amino-3,3,3-trifluoropropanoic acid;methane is C.C[C@H]1C[C@@H](N)C[C@@H](c2ccc(C#N)c3nccnc23)C1.C[C@H]1C[C@@H](NC(=O)[C@@H](N)C(F)(F)F)C[C@@H](c2ccc(C#N)c3nccnc23)C1.C[C@H]1C[C@@H](NC(=O)[C@H](N)C(F)(F)F)C[C@@H](c2ccc(C#N)c3nccnc23)C1.NC(C(=O)O)C(F)(F)F.

What is the InChIKey of (2S)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;(2R)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;8-[(1S,3R,5R)-3-amino-5-methylcyclohexyl]quinoxaline-5-carbonitrile;2-amino-3,3,3-trifluoropropanoic acid;methane?

The InChIKey is BOFHFHJPCORKRC-NOHGJDHRSA-N. The full InChI is InChI=1S/2C19H20F3N5O.C16H18N4.C3H4F3NO2.CH4/c2*1-10-6-12(8-13(7-10)27-18(28)17(24)19(20,21)22)14-3-2-11(9-23)15-16(14)26-5-4-25-15;1-10-6-12(8-13(18)7-10)14-3-2-11(9-17)15-16(14)20-5-4-19-15;4-3(5,6)1(7)2(8)9;/h2*2-5,10,12-13,17H,6-8,24H2,1H3,(H,27,28);2-5,10,12-13H,6-8,18H2,1H3;1H,7H2,(H,8,9);1H4/t10-,12+,13-,17+;10-,12+,13-,17-;10-,12+,13-;;/m111../s1.

What are the key properties of (2S)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;(2R)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;8-[(1S,3R,5R)-3-amino-5-methylcyclohexyl]quinoxaline-5-carbonitrile;2-amino-3,3,3-trifluoropropanoic acid;methane?

(2S)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;(2R)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;8-[(1S,3R,5R)-3-amino-5-methylcyclohexyl]quinoxaline-5-carbonitrile;2-amino-3,3,3-trifluoropropanoic acid;methane has a molecular weight of 1208.25 g/mol, XLogP of 8.89, 8 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;(2R)-2-amino-N-[(1R,3S,5R)-3-(8-cyanoquinoxalin-5-yl)-5-methylcyclohexyl]-3,3,3-trifluoropropanamide;8-[(1S,3R,5R)-3-amino-5-methylcyclohexyl]quinoxaline-5-carbonitrile;2-amino-3,3,3-trifluoropropanoic acid;methane is sourced from PubChem (CID 157410408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).