(2S)-2-amino-6-morpholin-4-ylhexan-3-one;tert-butyl N-[(2S)-6-morpholin-4-yl-3-oxohexan-2-yl]carbamate;chloro(diazenyl)diazene;methane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2-morpholin-4-ylethanamine

C40H82ClN11O11 — CID 161238557

About (2S)-2-amino-6-morpholin-4-ylhexan-3-one;tert-butyl N-[(2S)-6-morpholin-4-yl-3-oxohexan-2-yl]carbamate;chloro(diazenyl)diazene;methane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2-morpholin-4-ylethanamine

(2S)-2-amino-6-morpholin-4-ylhexan-3-one;tert-butyl N-[(2S)-6-morpholin-4-yl-3-oxohexan-2-yl]carbamate;chloro(diazenyl)diazene;methane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2-morpholin-4-ylethanamine (PubChem CID 161238557) has the molecular formula C40H82ClN11O11 and a molecular weight of 928.61 g/mol. Its IUPAC name is (2S)-2-amino-6-morpholin-4-ylhexan-3-one;tert-butyl N-[(2S)-6-morpholin-4-yl-3-oxohexan-2-yl]carbamate;chloro(diazenyl)diazene;methane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2-morpholin-4-ylethanamine.

Molecular Properties

• Compound Name: (2S)-2-amino-6-morpholin-4-ylhexan-3-one;tert-butyl N-[(2S)-6-morpholin-4-yl-3-oxohexan-2-yl]carbamate;chloro(diazenyl)diazene;methane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2-morpholin-4-ylethanamine
• PubChem CID: 161238557
• Molecular Formula: C40H82ClN11O11
• Molecular Weight: 928.61 g/mol
• Exact Mass: 927.59
• IUPAC Name: (2S)-2-amino-6-morpholin-4-ylhexan-3-one;tert-butyl N-[(2S)-6-morpholin-4-yl-3-oxohexan-2-yl]carbamate;chloro(diazenyl)diazene;methane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2-morpholin-4-ylethanamine
• SMILES: C.C[C@H](N)C(=O)CCCN1CCOCC1.C[C@H](NC(=O)OC(C)(C)C)C(=O)CCCN1CCOCC1.C[C@H](NC(=O)OC(C)(C)C)C(=O)O.NCCN1CCOCC1.[H]/N=N/N=NCl
• InChI: InChI=1S/C15H28N2O4.C10H20N2O2.C8H15NO4.C6H14N2O.CH4.ClHN4/c1-12(16-14(19)21-15(2,3)4)13(18)6-5-7-17-8-10-20-11-9-17;1-9(11)10(13)3-2-4-12-5-7-14-8-6-12;1-5(6(10)11)9-7(12)13-8(2,3)4;7-1-2-8-3-5-9-6-4-8;;1-3-5-4-2/h12H,5-11H2,1-4H3,(H,16,19);9H,2-8,11H2,1H3;5H,1-4H3,(H,9,12)(H,10,11);1-7H2;1H4;2H/b;;;;;4-2+,5-3?/t12-;9-;5-;;;/m000.../s1
• InChIKey: UZRRVLPSMWJFKW-DCFIBDGGSA-N
• XLogP: 4.03
• TPSA: 298.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	928.61
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-morpholin-4-ylhexan-3-one;tert-butyl N-[(2S)-6-morpholin-4-yl-3-oxohexan-2-yl]carbamate;chloro(diazenyl)diazene;methane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2-morpholin-4-ylethanamine?

The IUPAC name of (2S)-2-amino-6-morpholin-4-ylhexan-3-one;tert-butyl N-[(2S)-6-morpholin-4-yl-3-oxohexan-2-yl]carbamate;chloro(diazenyl)diazene;methane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2-morpholin-4-ylethanamine (CID 161238557) is (2S)-2-amino-6-morpholin-4-ylhexan-3-one;tert-butyl N-[(2S)-6-morpholin-4-yl-3-oxohexan-2-yl]carbamate;chloro(diazenyl)diazene;methane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2-morpholin-4-ylethanamine.

What is the SMILES notation for (2S)-2-amino-6-morpholin-4-ylhexan-3-one;tert-butyl N-[(2S)-6-morpholin-4-yl-3-oxohexan-2-yl]carbamate;chloro(diazenyl)diazene;methane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2-morpholin-4-ylethanamine?

The canonical SMILES for (2S)-2-amino-6-morpholin-4-ylhexan-3-one;tert-butyl N-[(2S)-6-morpholin-4-yl-3-oxohexan-2-yl]carbamate;chloro(diazenyl)diazene;methane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2-morpholin-4-ylethanamine is C.C[C@H](N)C(=O)CCCN1CCOCC1.C[C@H](NC(=O)OC(C)(C)C)C(=O)CCCN1CCOCC1.C[C@H](NC(=O)OC(C)(C)C)C(=O)O.NCCN1CCOCC1.[H]/N=N/N=NCl.

What is the InChIKey of (2S)-2-amino-6-morpholin-4-ylhexan-3-one;tert-butyl N-[(2S)-6-morpholin-4-yl-3-oxohexan-2-yl]carbamate;chloro(diazenyl)diazene;methane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2-morpholin-4-ylethanamine?

The InChIKey is UZRRVLPSMWJFKW-DCFIBDGGSA-N. The full InChI is InChI=1S/C15H28N2O4.C10H20N2O2.C8H15NO4.C6H14N2O.CH4.ClHN4/c1-12(16-14(19)21-15(2,3)4)13(18)6-5-7-17-8-10-20-11-9-17;1-9(11)10(13)3-2-4-12-5-7-14-8-6-12;1-5(6(10)11)9-7(12)13-8(2,3)4;7-1-2-8-3-5-9-6-4-8;;1-3-5-4-2/h12H,5-11H2,1-4H3,(H,16,19);9H,2-8,11H2,1H3;5H,1-4H3,(H,9,12)(H,10,11);1-7H2;1H4;2H/b;;;;;4-2+,5-3?/t12-;9-;5-;;;/m000.../s1.

What are the key properties of (2S)-2-amino-6-morpholin-4-ylhexan-3-one;tert-butyl N-[(2S)-6-morpholin-4-yl-3-oxohexan-2-yl]carbamate;chloro(diazenyl)diazene;methane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2-morpholin-4-ylethanamine?

(2S)-2-amino-6-morpholin-4-ylhexan-3-one;tert-butyl N-[(2S)-6-morpholin-4-yl-3-oxohexan-2-yl]carbamate;chloro(diazenyl)diazene;methane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2-morpholin-4-ylethanamine has a molecular weight of 928.61 g/mol, XLogP of 4.03, 16 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-6-morpholin-4-ylhexan-3-one;tert-butyl N-[(2S)-6-morpholin-4-yl-3-oxohexan-2-yl]carbamate;chloro(diazenyl)diazene;methane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2-morpholin-4-ylethanamine is sourced from PubChem (CID 161238557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).