tert-butyl-[(1S,2R)-1-tert-butylazanidyl-3-[methoxy(methyl)amino]-3-oxo-1-phenylpropan-2-yl]azanide;dioxoosmium(2+)

C19H31N3O4Os — CID 177455278

About tert-butyl-[(1S,2R)-1-tert-butylazanidyl-3-[methoxy(methyl)amino]-3-oxo-1-phenylpropan-2-yl]azanide;dioxoosmium(2+)

tert-butyl-[(1S,2R)-1-tert-butylazanidyl-3-[methoxy(methyl)amino]-3-oxo-1-phenylpropan-2-yl]azanide;dioxoosmium(2+) (PubChem CID 177455278) has the molecular formula C19H31N3O4Os and a molecular weight of 555.70 g/mol. Its IUPAC name is tert-butyl-[(1S,2R)-1-tert-butylazanidyl-3-[methoxy(methyl)amino]-3-oxo-1-phenylpropan-2-yl]azanide;dioxoosmium(2+).

Molecular Properties

• Compound Name: tert-butyl-[(1S,2R)-1-tert-butylazanidyl-3-[methoxy(methyl)amino]-3-oxo-1-phenylpropan-2-yl]azanide;dioxoosmium(2+)
• PubChem CID: 177455278
• Molecular Formula: C19H31N3O4Os
• Molecular Weight: 555.70 g/mol
• Exact Mass: 557.19
• IUPAC Name: tert-butyl-[(1S,2R)-1-tert-butylazanidyl-3-[methoxy(methyl)amino]-3-oxo-1-phenylpropan-2-yl]azanide;dioxoosmium(2+)
• SMILES: CON(C)C(=O)[C@H]([N-]C(C)(C)C)[C@@H]([N-]C(C)(C)C)c1ccccc1.O=[Os+2]=O
• InChI: InChI=1S/C19H31N3O2.2O.Os/c1-18(2,3)20-15(14-12-10-9-11-13-14)16(21-19(4,5)6)17(23)22(7)24-8;;;/h9-13,15-16H,1-8H3;;;/q-2;;;+2/t15-,16+;;;/m0.../s1
• InChIKey: MKOXBSACYKRCCU-NYVNNJFHSA-N
• XLogP: 4.22
• TPSA: 91.88 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.70
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,2R)-1-tert-butylazanidyl-3-[methoxy(methyl)amino]-3-oxo-1-phenylpropan-2-yl]azanide;dioxoosmium(2+)?

The IUPAC name of tert-butyl-[(1S,2R)-1-tert-butylazanidyl-3-[methoxy(methyl)amino]-3-oxo-1-phenylpropan-2-yl]azanide;dioxoosmium(2+) (CID 177455278) is tert-butyl-[(1S,2R)-1-tert-butylazanidyl-3-[methoxy(methyl)amino]-3-oxo-1-phenylpropan-2-yl]azanide;dioxoosmium(2+).

What is the SMILES notation for tert-butyl-[(1S,2R)-1-tert-butylazanidyl-3-[methoxy(methyl)amino]-3-oxo-1-phenylpropan-2-yl]azanide;dioxoosmium(2+)?

The canonical SMILES for tert-butyl-[(1S,2R)-1-tert-butylazanidyl-3-[methoxy(methyl)amino]-3-oxo-1-phenylpropan-2-yl]azanide;dioxoosmium(2+) is CON(C)C(=O)[C@H]([N-]C(C)(C)C)[C@@H]([N-]C(C)(C)C)c1ccccc1.O=[Os+2]=O.

What is the InChIKey of tert-butyl-[(1S,2R)-1-tert-butylazanidyl-3-[methoxy(methyl)amino]-3-oxo-1-phenylpropan-2-yl]azanide;dioxoosmium(2+)?

The InChIKey is MKOXBSACYKRCCU-NYVNNJFHSA-N. The full InChI is InChI=1S/C19H31N3O2.2O.Os/c1-18(2,3)20-15(14-12-10-9-11-13-14)16(21-19(4,5)6)17(23)22(7)24-8;;;/h9-13,15-16H,1-8H3;;;/q-2;;;+2/t15-,16+;;;/m0.../s1.

What are the key properties of tert-butyl-[(1S,2R)-1-tert-butylazanidyl-3-[methoxy(methyl)amino]-3-oxo-1-phenylpropan-2-yl]azanide;dioxoosmium(2+)?

tert-butyl-[(1S,2R)-1-tert-butylazanidyl-3-[methoxy(methyl)amino]-3-oxo-1-phenylpropan-2-yl]azanide;dioxoosmium(2+) has a molecular weight of 555.70 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(1S,2R)-1-tert-butylazanidyl-3-[methoxy(methyl)amino]-3-oxo-1-phenylpropan-2-yl]azanide;dioxoosmium(2+) is sourced from PubChem (CID 177455278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).