(2R,5S,6S)-5-amino-2,6-dimethyl-1-morpholin-4-yloctane-1,4-dione;tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate;tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate;deuterio(fluoro)methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;morpholine;2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide

C78H143F4N11O24 — CID 159329832

About (2R,5S,6S)-5-amino-2,6-dimethyl-1-morpholin-4-yloctane-1,4-dione;tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate;tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate;deuterio(fluoro)methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;morpholine;2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide

(2R,5S,6S)-5-amino-2,6-dimethyl-1-morpholin-4-yloctane-1,4-dione;tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate;tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate;deuterio(fluoro)methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;morpholine;2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide (PubChem CID 159329832) has the molecular formula C78H143F4N11O24 and a molecular weight of 1696.05 g/mol. Its IUPAC name is (2R,5S,6S)-5-amino-2,6-dimethyl-1-morpholin-4-yloctane-1,4-dione;tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate;tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate;deuterio(fluoro)methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;morpholine;2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide.

Molecular Properties

• Compound Name: (2R,5S,6S)-5-amino-2,6-dimethyl-1-morpholin-4-yloctane-1,4-dione;tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate;tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate;deuterio(fluoro)methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;morpholine;2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
• PubChem CID: 159329832
• Molecular Formula: C78H143F4N11O24
• Molecular Weight: 1696.05 g/mol
• Exact Mass: 1695.03
• IUPAC Name: (2R,5S,6S)-5-amino-2,6-dimethyl-1-morpholin-4-yloctane-1,4-dione;tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate;tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate;deuterio(fluoro)methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;morpholine;2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
• SMILES: C1COCCN1.CC[C@H](C)[C@H](N)C(=O)C[C@@H](C)C(=O)N1CCOCC1.CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)C[C@@H](C)C(=O)N1CCOCC1.CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O.C[C@H](NC(=O)C(F)(F)F)C(=O)N1CCOCC1.C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1.C[C@H](NC(=O)OC(C)(C)C)C(=O)O.[2H]CF
• InChI: InChI=1S/C19H34N2O5.C14H26N2O3.C12H22N2O4.C11H21NO4.C9H13F3N2O3.C8H15NO4.C4H9NO.CH3F/c1-7-13(2)16(20-18(24)26-19(4,5)6)15(22)12-14(3)17(23)21-8-10-25-11-9-21;1-4-10(2)13(15)12(17)9-11(3)14(18)16-5-7-19-8-6-16;1-9(13-11(16)18-12(2,3)4)10(15)14-5-7-17-8-6-14;1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5;1-6(13-8(16)9(10,11)12)7(15)14-2-4-17-5-3-14;1-5(6(10)11)9-7(12)13-8(2,3)4;1-3-6-4-2-5-1;1-2/h13-14,16H,7-12H2,1-6H3,(H,20,24);10-11,13H,4-9,15H2,1-3H3;9H,5-8H2,1-4H3,(H,13,16);7-8H,6H2,1-5H3,(H,12,15)(H,13,14);6H,2-5H2,1H3,(H,13,16);5H,1-4H3,(H,9,12)(H,10,11);5H,1-4H2;1H3/t13-,14+,16-;10-,11+,13-;9-;7-,8-;6-;5-;;/m000000../s1/i;;;;;;;1D
• InChIKey: LEVKCMBAOQQCSA-MTLNCIJESA-N
• XLogP: 7.05
• TPSA: 456.60 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1696.05
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,5S,6S)-5-amino-2,6-dimethyl-1-morpholin-4-yloctane-1,4-dione;tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate;tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate;deuterio(fluoro)methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;morpholine;2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide?

The IUPAC name of (2R,5S,6S)-5-amino-2,6-dimethyl-1-morpholin-4-yloctane-1,4-dione;tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate;tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate;deuterio(fluoro)methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;morpholine;2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide (CID 159329832) is (2R,5S,6S)-5-amino-2,6-dimethyl-1-morpholin-4-yloctane-1,4-dione;tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate;tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate;deuterio(fluoro)methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;morpholine;2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide.

What is the SMILES notation for (2R,5S,6S)-5-amino-2,6-dimethyl-1-morpholin-4-yloctane-1,4-dione;tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate;tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate;deuterio(fluoro)methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;morpholine;2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide?

The canonical SMILES for (2R,5S,6S)-5-amino-2,6-dimethyl-1-morpholin-4-yloctane-1,4-dione;tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate;tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate;deuterio(fluoro)methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;morpholine;2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide is C1COCCN1.CC[C@H](C)[C@H](N)C(=O)C[C@@H](C)C(=O)N1CCOCC1.CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)C[C@@H](C)C(=O)N1CCOCC1.CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O.C[C@H](NC(=O)C(F)(F)F)C(=O)N1CCOCC1.C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1.C[C@H](NC(=O)OC(C)(C)C)C(=O)O.[2H]CF.

What is the InChIKey of (2R,5S,6S)-5-amino-2,6-dimethyl-1-morpholin-4-yloctane-1,4-dione;tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate;tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate;deuterio(fluoro)methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;morpholine;2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide?

The InChIKey is LEVKCMBAOQQCSA-MTLNCIJESA-N. The full InChI is InChI=1S/C19H34N2O5.C14H26N2O3.C12H22N2O4.C11H21NO4.C9H13F3N2O3.C8H15NO4.C4H9NO.CH3F/c1-7-13(2)16(20-18(24)26-19(4,5)6)15(22)12-14(3)17(23)21-8-10-25-11-9-21;1-4-10(2)13(15)12(17)9-11(3)14(18)16-5-7-19-8-6-16;1-9(13-11(16)18-12(2,3)4)10(15)14-5-7-17-8-6-14;1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5;1-6(13-8(16)9(10,11)12)7(15)14-2-4-17-5-3-14;1-5(6(10)11)9-7(12)13-8(2,3)4;1-3-6-4-2-5-1;1-2/h13-14,16H,7-12H2,1-6H3,(H,20,24);10-11,13H,4-9,15H2,1-3H3;9H,5-8H2,1-4H3,(H,13,16);7-8H,6H2,1-5H3,(H,12,15)(H,13,14);6H,2-5H2,1H3,(H,13,16);5H,1-4H3,(H,9,12)(H,10,11);5H,1-4H2;1H3/t13-,14+,16-;10-,11+,13-;9-;7-,8-;6-;5-;;/m000000../s1/i;;;;;;;1D.

What are the key properties of (2R,5S,6S)-5-amino-2,6-dimethyl-1-morpholin-4-yloctane-1,4-dione;tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate;tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate;deuterio(fluoro)methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;morpholine;2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide?

(2R,5S,6S)-5-amino-2,6-dimethyl-1-morpholin-4-yloctane-1,4-dione;tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate;tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate;deuterio(fluoro)methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;morpholine;2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide has a molecular weight of 1696.05 g/mol, XLogP of 7.05, 23 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5S,6S)-5-amino-2,6-dimethyl-1-morpholin-4-yloctane-1,4-dione;tert-butyl N-[(3S,4S,7R)-3,7-dimethyl-8-morpholin-4-yl-5,8-dioxooctan-4-yl]carbamate;tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate;deuterio(fluoro)methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;morpholine;2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 159329832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).