potassium;(2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one;(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-benzyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-5-morpholin-4-yl-4-oxopentanamide;bis((2R)-2-benzyl-5-morpholin-4-yl-4-oxopentanoic acid);dichloromethane;ethane;hydride;methane;2-morpholin-4-ylacetic acid

C87H138Cl2KN7O20 — CID 158402930

About potassium;(2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one;(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-benzyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-5-morpholin-4-yl-4-oxopentanamide;bis((2R)-2-benzyl-5-morpholin-4-yl-4-oxopentanoic acid);dichloromethane;ethane;hydride;methane;2-morpholin-4-ylacetic acid

potassium;(2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one;(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-benzyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-5-morpholin-4-yl-4-oxopentanamide;bis((2R)-2-benzyl-5-morpholin-4-yl-4-oxopentanoic acid);dichloromethane;ethane;hydride;methane;2-morpholin-4-ylacetic acid (PubChem CID 158402930) has the molecular formula C87H138Cl2KN7O20 and a molecular weight of 1712.09 g/mol. Its IUPAC name is potassium;(2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one;(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-benzyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-5-morpholin-4-yl-4-oxopentanamide;bis((2R)-2-benzyl-5-morpholin-4-yl-4-oxopentanoic acid);dichloromethane;ethane;hydride;methane;2-morpholin-4-ylacetic acid.

Molecular Properties

• Compound Name: potassium;(2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one;(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-benzyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-5-morpholin-4-yl-4-oxopentanamide;bis((2R)-2-benzyl-5-morpholin-4-yl-4-oxopentanoic acid);dichloromethane;ethane;hydride;methane;2-morpholin-4-ylacetic acid
• PubChem CID: 158402930
• Molecular Formula: C87H138Cl2KN7O20
• Molecular Weight: 1712.09 g/mol
• Exact Mass: 1709.90
• IUPAC Name: potassium;(2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one;(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-benzyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-5-morpholin-4-yl-4-oxopentanamide;bis((2R)-2-benzyl-5-morpholin-4-yl-4-oxopentanoic acid);dichloromethane;ethane;hydride;methane;2-morpholin-4-ylacetic acid
• SMILES: C.C.C.CC.CC(C)C[C@H](N)C(=O)[C@@]1(C)CO1.CC(C)C[C@H](NC(=O)[C@@H](CC(=O)CN1CCOCC1)Cc1ccccc1)C(=O)[C@@]1(C)CO1.ClCCl.N[C@@H](Cc1ccccc1)C(=O)O.O=C(C[C@@H](Cc1ccccc1)C(=O)O)CN1CCOCC1.O=C(C[C@@H](Cc1ccccc1)C(=O)O)CN1CCOCC1.O=C(O)CN1CCOCC1.[H-].[K+]
• InChI: InChI=1S/C25H36N2O5.2C16H21NO4.C9H17NO2.C9H11NO2.C6H11NO3.C2H6.CH2Cl2.3CH4.K.H/c1-18(2)13-22(23(29)25(3)17-32-25)26-24(30)20(14-19-7-5-4-6-8-19)15-21(28)16-27-9-11-31-12-10-27;2*18-15(12-17-6-8-21-9-7-17)11-14(16(19)20)10-13-4-2-1-3-5-13;1-6(2)4-7(10)8(11)9(3)5-12-9;10-8(9(11)12)6-7-4-2-1-3-5-7;8-6(9)5-7-1-3-10-4-2-7;1-2;2-1-3;;;;;/h4-8,18,20,22H,9-17H2,1-3H3,(H,26,30);2*1-5,14H,6-12H2,(H,19,20);6-7H,4-5,10H2,1-3H3;1-5,8H,6,10H2,(H,11,12);1-5H2,(H,8,9);1-2H3;1H2;3*1H4;;/q;;;;;;;;;;;+1;-1/t20-,22+,25-;2*14-;7-,9+;8-;;;;;;;;/m11100......../s1
• InChIKey: POFHJVORWVCVSU-WUMSUEKKSA-N
• XLogP: 6.70
• TPSA: 390.63 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 35
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1712.09
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;(2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one;(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-benzyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-5-morpholin-4-yl-4-oxopentanamide;bis((2R)-2-benzyl-5-morpholin-4-yl-4-oxopentanoic acid);dichloromethane;ethane;hydride;methane;2-morpholin-4-ylacetic acid?

The IUPAC name of potassium;(2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one;(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-benzyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-5-morpholin-4-yl-4-oxopentanamide;bis((2R)-2-benzyl-5-morpholin-4-yl-4-oxopentanoic acid);dichloromethane;ethane;hydride;methane;2-morpholin-4-ylacetic acid (CID 158402930) is potassium;(2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one;(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-benzyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-5-morpholin-4-yl-4-oxopentanamide;bis((2R)-2-benzyl-5-morpholin-4-yl-4-oxopentanoic acid);dichloromethane;ethane;hydride;methane;2-morpholin-4-ylacetic acid.

What is the SMILES notation for potassium;(2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one;(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-benzyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-5-morpholin-4-yl-4-oxopentanamide;bis((2R)-2-benzyl-5-morpholin-4-yl-4-oxopentanoic acid);dichloromethane;ethane;hydride;methane;2-morpholin-4-ylacetic acid?

The canonical SMILES for potassium;(2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one;(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-benzyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-5-morpholin-4-yl-4-oxopentanamide;bis((2R)-2-benzyl-5-morpholin-4-yl-4-oxopentanoic acid);dichloromethane;ethane;hydride;methane;2-morpholin-4-ylacetic acid is C.C.C.CC.CC(C)C[C@H](N)C(=O)[C@@]1(C)CO1.CC(C)C[C@H](NC(=O)[C@@H](CC(=O)CN1CCOCC1)Cc1ccccc1)C(=O)[C@@]1(C)CO1.ClCCl.N[C@@H](Cc1ccccc1)C(=O)O.O=C(C[C@@H](Cc1ccccc1)C(=O)O)CN1CCOCC1.O=C(C[C@@H](Cc1ccccc1)C(=O)O)CN1CCOCC1.O=C(O)CN1CCOCC1.[H-].[K+].

What is the InChIKey of potassium;(2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one;(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-benzyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-5-morpholin-4-yl-4-oxopentanamide;bis((2R)-2-benzyl-5-morpholin-4-yl-4-oxopentanoic acid);dichloromethane;ethane;hydride;methane;2-morpholin-4-ylacetic acid?

The InChIKey is POFHJVORWVCVSU-WUMSUEKKSA-N. The full InChI is InChI=1S/C25H36N2O5.2C16H21NO4.C9H17NO2.C9H11NO2.C6H11NO3.C2H6.CH2Cl2.3CH4.K.H/c1-18(2)13-22(23(29)25(3)17-32-25)26-24(30)20(14-19-7-5-4-6-8-19)15-21(28)16-27-9-11-31-12-10-27;2*18-15(12-17-6-8-21-9-7-17)11-14(16(19)20)10-13-4-2-1-3-5-13;1-6(2)4-7(10)8(11)9(3)5-12-9;10-8(9(11)12)6-7-4-2-1-3-5-7;8-6(9)5-7-1-3-10-4-2-7;1-2;2-1-3;;;;;/h4-8,18,20,22H,9-17H2,1-3H3,(H,26,30);2*1-5,14H,6-12H2,(H,19,20);6-7H,4-5,10H2,1-3H3;1-5,8H,6,10H2,(H,11,12);1-5H2,(H,8,9);1-2H3;1H2;3*1H4;;/q;;;;;;;;;;;+1;-1/t20-,22+,25-;2*14-;7-,9+;8-;;;;;;;;/m11100......../s1.

What are the key properties of potassium;(2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one;(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-benzyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-5-morpholin-4-yl-4-oxopentanamide;bis((2R)-2-benzyl-5-morpholin-4-yl-4-oxopentanoic acid);dichloromethane;ethane;hydride;methane;2-morpholin-4-ylacetic acid?

potassium;(2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one;(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-benzyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-5-morpholin-4-yl-4-oxopentanamide;bis((2R)-2-benzyl-5-morpholin-4-yl-4-oxopentanoic acid);dichloromethane;ethane;hydride;methane;2-morpholin-4-ylacetic acid has a molecular weight of 1712.09 g/mol, XLogP of 6.70, 35 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;(2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one;(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-benzyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-5-morpholin-4-yl-4-oxopentanamide;bis((2R)-2-benzyl-5-morpholin-4-yl-4-oxopentanoic acid);dichloromethane;ethane;hydride;methane;2-morpholin-4-ylacetic acid is sourced from PubChem (CID 158402930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).