methyl (1S,2S,5R,6S)-2-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-6-carboxylate

C24H42N2O8Si — CID 11352812

About methyl (1S,2S,5R,6S)-2-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-6-carboxylate

methyl (1S,2S,5R,6S)-2-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 11352812) has the molecular formula C24H42N2O8Si and a molecular weight of 514.69 g/mol. Its IUPAC name is methyl (1S,2S,5R,6S)-2-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

• Compound Name: methyl (1S,2S,5R,6S)-2-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-6-carboxylate
• PubChem CID: 11352812
• Molecular Formula: C24H42N2O8Si
• Molecular Weight: 514.69 g/mol
• Exact Mass: 514.27
• IUPAC Name: methyl (1S,2S,5R,6S)-2-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-6-carboxylate
• SMILES: COC(=O)[C@H]1[C@@H]2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)OC)[C@@H]21
• InChI: InChI=1S/C24H42N2O8Si/c1-22(2,3)34-21(30)26-24(12-11-14-16(17(14)24)19(28)32-8)20(29)25-15(18(27)31-7)13-33-35(9,10)23(4,5)6/h14-17H,11-13H2,1-10H3,(H,25,29)(H,26,30)/t14-,15-,16-,17-,24-/m0/s1
• InChIKey: QPSSYRZXAMNJKZ-SYBWDQMMSA-N
• XLogP: 2.76
• TPSA: 129.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.69
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl (1S,2S,5R,6S)-2-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-6-carboxylate?

The IUPAC name of methyl (1S,2S,5R,6S)-2-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-6-carboxylate (CID 11352812) is methyl (1S,2S,5R,6S)-2-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-6-carboxylate.

What is the SMILES notation for methyl (1S,2S,5R,6S)-2-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-6-carboxylate?

The canonical SMILES for methyl (1S,2S,5R,6S)-2-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-6-carboxylate is COC(=O)[C@H]1[C@@H]2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)OC)[C@@H]21.

What is the InChIKey of methyl (1S,2S,5R,6S)-2-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-6-carboxylate?

The InChIKey is QPSSYRZXAMNJKZ-SYBWDQMMSA-N. The full InChI is InChI=1S/C24H42N2O8Si/c1-22(2,3)34-21(30)26-24(12-11-14-16(17(14)24)19(28)32-8)20(29)25-15(18(27)31-7)13-33-35(9,10)23(4,5)6/h14-17H,11-13H2,1-10H3,(H,25,29)(H,26,30)/t14-,15-,16-,17-,24-/m0/s1.

What are the key properties of methyl (1S,2S,5R,6S)-2-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-6-carboxylate?

methyl (1S,2S,5R,6S)-2-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 514.69 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (1S,2S,5R,6S)-2-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 11352812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).