ethyl 2-[4-[[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]amino]propyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]propanoate

C33H51ClN2O5Si — CID 10941150

About ethyl 2-[4-[[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]amino]propyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]propanoate

ethyl 2-[4-[[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]amino]propyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]propanoate (PubChem CID 10941150) has the molecular formula C33H51ClN2O5Si and a molecular weight of 619.32 g/mol. Its IUPAC name is ethyl 2-[4-[[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]amino]propyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]propanoate.

Molecular Properties

• Compound Name: ethyl 2-[4-[[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]amino]propyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]propanoate
• PubChem CID: 10941150
• Molecular Formula: C33H51ClN2O5Si
• Molecular Weight: 619.32 g/mol
• Exact Mass: 618.33
• IUPAC Name: ethyl 2-[4-[[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]amino]propyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]propanoate
• SMILES: CCOC(=O)C(C)c1ccc(N(C[C@@H](C)NC[C@H](O[Si](C)(C)C(C)(C)C)c2cccc(Cl)c2)C(=O)OC(C)(C)C)cc1
• InChI: InChI=1S/C33H51ClN2O5Si/c1-12-39-30(37)24(3)25-16-18-28(19-17-25)36(31(38)40-32(4,5)6)22-23(2)35-21-29(26-14-13-15-27(34)20-26)41-42(10,11)33(7,8)9/h13-20,23-24,29,35H,12,21-22H2,1-11H3/t23-,24?,29+/m1/s1
• InChIKey: YZLDZBOLGOHRNT-ANFCFGEPSA-N
• XLogP: 8.49
• TPSA: 77.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.32
LogP ≤ 5	8.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]amino]propyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]propanoate?

The IUPAC name of ethyl 2-[4-[[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]amino]propyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]propanoate (CID 10941150) is ethyl 2-[4-[[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]amino]propyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]propanoate.

What is the SMILES notation for ethyl 2-[4-[[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]amino]propyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]propanoate?

The canonical SMILES for ethyl 2-[4-[[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]amino]propyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]propanoate is CCOC(=O)C(C)c1ccc(N(C[C@@H](C)NC[C@H](O[Si](C)(C)C(C)(C)C)c2cccc(Cl)c2)C(=O)OC(C)(C)C)cc1.

What is the InChIKey of ethyl 2-[4-[[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]amino]propyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]propanoate?

The InChIKey is YZLDZBOLGOHRNT-ANFCFGEPSA-N. The full InChI is InChI=1S/C33H51ClN2O5Si/c1-12-39-30(37)24(3)25-16-18-28(19-17-25)36(31(38)40-32(4,5)6)22-23(2)35-21-29(26-14-13-15-27(34)20-26)41-42(10,11)33(7,8)9/h13-20,23-24,29,35H,12,21-22H2,1-11H3/t23-,24?,29+/m1/s1.

What are the key properties of ethyl 2-[4-[[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]amino]propyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]propanoate?

ethyl 2-[4-[[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]amino]propyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]propanoate has a molecular weight of 619.32 g/mol, XLogP of 8.49, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[4-[[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]amino]propyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]propanoate is sourced from PubChem (CID 10941150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).