magnesium;tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-hydroxypropan-2-yl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-methyl (2R,5S)-5-[(4-chlorophenyl)methyl]morpholine-2,4-dicarboxylate;carbanide;oxolane;bromide

C42H63BrCl2MgN2O10 — CID 160980346

About magnesium;tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-hydroxypropan-2-yl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-methyl (2R,5S)-5-[(4-chlorophenyl)methyl]morpholine-2,4-dicarboxylate;carbanide;oxolane;bromide

magnesium;tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-hydroxypropan-2-yl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-methyl (2R,5S)-5-[(4-chlorophenyl)methyl]morpholine-2,4-dicarboxylate;carbanide;oxolane;bromide (PubChem CID 160980346) has the molecular formula C42H63BrCl2MgN2O10 and a molecular weight of 931.08 g/mol. Its IUPAC name is magnesium;tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-hydroxypropan-2-yl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-methyl (2R,5S)-5-[(4-chlorophenyl)methyl]morpholine-2,4-dicarboxylate;carbanide;oxolane;bromide.

Molecular Properties

• Compound Name: magnesium;tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-hydroxypropan-2-yl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-methyl (2R,5S)-5-[(4-chlorophenyl)methyl]morpholine-2,4-dicarboxylate;carbanide;oxolane;bromide
• PubChem CID: 160980346
• Molecular Formula: C42H63BrCl2MgN2O10
• Molecular Weight: 931.08 g/mol
• Exact Mass: 928.29
• IUPAC Name: magnesium;tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-hydroxypropan-2-yl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-methyl (2R,5S)-5-[(4-chlorophenyl)methyl]morpholine-2,4-dicarboxylate;carbanide;oxolane;bromide
• SMILES: C1CCOC1.CC(C)(C)OC(=O)N1C[C@H](C(C)(C)O)OC[C@@H]1Cc1ccc(Cl)cc1.COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](Cc2ccc(Cl)cc2)CO1.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C19H28ClNO4.C18H24ClNO5.C4H8O.CH3.BrH.Mg/c1-18(2,3)25-17(22)21-11-16(19(4,5)23)24-12-15(21)10-13-6-8-14(20)9-7-13;1-18(2,3)25-17(22)20-10-15(16(21)23-4)24-11-14(20)9-12-5-7-13(19)8-6-12;1-2-4-5-3-1;;;/h6-9,15-16,23H,10-12H2,1-5H3;5-8,14-15H,9-11H2,1-4H3;1-4H2;1H3;1H;/q;;;-1;;+2/p-1/t15-,16+;14-,15+;;;;/m00..../s1
• InChIKey: KGPIAIMCLZSABK-CKHLMAEFSA-M
• XLogP: 4.59
• TPSA: 133.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	931.08
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of magnesium;tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-hydroxypropan-2-yl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-methyl (2R,5S)-5-[(4-chlorophenyl)methyl]morpholine-2,4-dicarboxylate;carbanide;oxolane;bromide?

The IUPAC name of magnesium;tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-hydroxypropan-2-yl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-methyl (2R,5S)-5-[(4-chlorophenyl)methyl]morpholine-2,4-dicarboxylate;carbanide;oxolane;bromide (CID 160980346) is magnesium;tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-hydroxypropan-2-yl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-methyl (2R,5S)-5-[(4-chlorophenyl)methyl]morpholine-2,4-dicarboxylate;carbanide;oxolane;bromide.

What is the SMILES notation for magnesium;tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-hydroxypropan-2-yl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-methyl (2R,5S)-5-[(4-chlorophenyl)methyl]morpholine-2,4-dicarboxylate;carbanide;oxolane;bromide?

The canonical SMILES for magnesium;tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-hydroxypropan-2-yl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-methyl (2R,5S)-5-[(4-chlorophenyl)methyl]morpholine-2,4-dicarboxylate;carbanide;oxolane;bromide is C1CCOC1.CC(C)(C)OC(=O)N1C[C@H](C(C)(C)O)OC[C@@H]1Cc1ccc(Cl)cc1.COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](Cc2ccc(Cl)cc2)CO1.[Br-].[CH3-].[Mg+2].

What is the InChIKey of magnesium;tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-hydroxypropan-2-yl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-methyl (2R,5S)-5-[(4-chlorophenyl)methyl]morpholine-2,4-dicarboxylate;carbanide;oxolane;bromide?

The InChIKey is KGPIAIMCLZSABK-CKHLMAEFSA-M. The full InChI is InChI=1S/C19H28ClNO4.C18H24ClNO5.C4H8O.CH3.BrH.Mg/c1-18(2,3)25-17(22)21-11-16(19(4,5)23)24-12-15(21)10-13-6-8-14(20)9-7-13;1-18(2,3)25-17(22)20-10-15(16(21)23-4)24-11-14(20)9-12-5-7-13(19)8-6-12;1-2-4-5-3-1;;;/h6-9,15-16,23H,10-12H2,1-5H3;5-8,14-15H,9-11H2,1-4H3;1-4H2;1H3;1H;/q;;;-1;;+2/p-1/t15-,16+;14-,15+;;;;/m00..../s1.

What are the key properties of magnesium;tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-hydroxypropan-2-yl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-methyl (2R,5S)-5-[(4-chlorophenyl)methyl]morpholine-2,4-dicarboxylate;carbanide;oxolane;bromide?

magnesium;tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-hydroxypropan-2-yl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-methyl (2R,5S)-5-[(4-chlorophenyl)methyl]morpholine-2,4-dicarboxylate;carbanide;oxolane;bromide has a molecular weight of 931.08 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-hydroxypropan-2-yl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-methyl (2R,5S)-5-[(4-chlorophenyl)methyl]morpholine-2,4-dicarboxylate;carbanide;oxolane;bromide is sourced from PubChem (CID 160980346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).