2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid;2-trimethylsilylethyl N-(2-ethyl-1-methylcyclopropyl)carbamate

C23H44N2O6Si — CID 91114620

About 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid;2-trimethylsilylethyl N-(2-ethyl-1-methylcyclopropyl)carbamate

2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid;2-trimethylsilylethyl N-(2-ethyl-1-methylcyclopropyl)carbamate (PubChem CID 91114620) has the molecular formula C23H44N2O6Si and a molecular weight of 472.70 g/mol. Its IUPAC name is 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid;2-trimethylsilylethyl N-(2-ethyl-1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid;2-trimethylsilylethyl N-(2-ethyl-1-methylcyclopropyl)carbamate
• PubChem CID: 91114620
• Molecular Formula: C23H44N2O6Si
• Molecular Weight: 472.70 g/mol
• Exact Mass: 472.30
• IUPAC Name: 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid;2-trimethylsilylethyl N-(2-ethyl-1-methylcyclopropyl)carbamate
• SMILES: CCC1CC1(C)NC(=O)OCC[Si](C)(C)C.CCC1CC1(NC(=O)OC(C)(C)C)C(=O)O
• InChI: InChI=1S/C12H25NO2Si.C11H19NO4/c1-6-10-9-12(10,2)13-11(14)15-7-8-16(3,4)5;1-5-7-6-11(7,8(13)14)12-9(15)16-10(2,3)4/h10H,6-9H2,1-5H3,(H,13,14);7H,5-6H2,1-4H3,(H,12,15)(H,13,14)
• InChIKey: YRWSHDMHSOEHQH-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 113.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.70
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid;2-trimethylsilylethyl N-(2-ethyl-1-methylcyclopropyl)carbamate?

The IUPAC name of 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid;2-trimethylsilylethyl N-(2-ethyl-1-methylcyclopropyl)carbamate (CID 91114620) is 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid;2-trimethylsilylethyl N-(2-ethyl-1-methylcyclopropyl)carbamate.

What is the SMILES notation for 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid;2-trimethylsilylethyl N-(2-ethyl-1-methylcyclopropyl)carbamate?

The canonical SMILES for 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid;2-trimethylsilylethyl N-(2-ethyl-1-methylcyclopropyl)carbamate is CCC1CC1(C)NC(=O)OCC[Si](C)(C)C.CCC1CC1(NC(=O)OC(C)(C)C)C(=O)O.

What is the InChIKey of 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid;2-trimethylsilylethyl N-(2-ethyl-1-methylcyclopropyl)carbamate?

The InChIKey is YRWSHDMHSOEHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2Si.C11H19NO4/c1-6-10-9-12(10,2)13-11(14)15-7-8-16(3,4)5;1-5-7-6-11(7,8(13)14)12-9(15)16-10(2,3)4/h10H,6-9H2,1-5H3,(H,13,14);7H,5-6H2,1-4H3,(H,12,15)(H,13,14).

What are the key properties of 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid;2-trimethylsilylethyl N-(2-ethyl-1-methylcyclopropyl)carbamate?

2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid;2-trimethylsilylethyl N-(2-ethyl-1-methylcyclopropyl)carbamate has a molecular weight of 472.70 g/mol, XLogP of 5.00, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid;2-trimethylsilylethyl N-(2-ethyl-1-methylcyclopropyl)carbamate is sourced from PubChem (CID 91114620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).