diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylate

C19H29NO6 — CID 123762418

About diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylate

diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylate (PubChem CID 123762418) has the molecular formula C19H29NO6 and a molecular weight of 367.44 g/mol. Its IUPAC name is diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylate.

Molecular Properties

• Compound Name: diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylate
• PubChem CID: 123762418
• Molecular Formula: C19H29NO6
• Molecular Weight: 367.44 g/mol
• Exact Mass: 367.20
• IUPAC Name: diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylate
• SMILES: CCOC(=O)C1C2C1C(NC(=O)OC(C)(C)C)(C(=O)OCC)CC21CC1
• InChI: InChI=1S/C19H29NO6/c1-6-24-14(21)11-12-13(11)19(15(22)25-7-2,10-18(12)8-9-18)20-16(23)26-17(3,4)5/h11-13H,6-10H2,1-5H3,(H,20,23)
• InChIKey: VKXLWNRTWSXYBA-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 90.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.44
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylate?

The IUPAC name of diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylate (CID 123762418) is diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylate.

What is the SMILES notation for diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylate?

The canonical SMILES for diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylate is CCOC(=O)C1C2C1C(NC(=O)OC(C)(C)C)(C(=O)OCC)CC21CC1.

What is the InChIKey of diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylate?

The InChIKey is VKXLWNRTWSXYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO6/c1-6-24-14(21)11-12-13(11)19(15(22)25-7-2,10-18(12)8-9-18)20-16(23)26-17(3,4)5/h11-13H,6-10H2,1-5H3,(H,20,23).

What are the key properties of diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylate?

diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylate has a molecular weight of 367.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylate is sourced from PubChem (CID 123762418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).