methyl (2S,3S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-tri(propan-2-yl)silyloxypentanoate

C22H45NO5Si — CID 11212614

About methyl (2S,3S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-tri(propan-2-yl)silyloxypentanoate

methyl (2S,3S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-tri(propan-2-yl)silyloxypentanoate (PubChem CID 11212614) has the molecular formula C22H45NO5Si and a molecular weight of 431.69 g/mol. Its IUPAC name is methyl (2S,3S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-tri(propan-2-yl)silyloxypentanoate.

Molecular Properties

• Compound Name: methyl (2S,3S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-tri(propan-2-yl)silyloxypentanoate
• PubChem CID: 11212614
• Molecular Formula: C22H45NO5Si
• Molecular Weight: 431.69 g/mol
• Exact Mass: 431.31
• IUPAC Name: methyl (2S,3S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-tri(propan-2-yl)silyloxypentanoate
• SMILES: COC(=O)[C@H]([C@@H](C)CCO[Si](C(C)C)(C(C)C)C(C)C)N(C)C(=O)OC(C)(C)C
• InChI: InChI=1S/C22H45NO5Si/c1-15(2)29(16(3)4,17(5)6)27-14-13-18(7)19(20(24)26-12)23(11)21(25)28-22(8,9)10/h15-19H,13-14H2,1-12H3/t18-,19-/m0/s1
• InChIKey: ZZGWGODLBWREDG-OALUTQOASA-N
• XLogP: 5.61
• TPSA: 65.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.69
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	0
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 methyl (2S,3S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-tri(propan-2-yl)silyloxypentanoate?

The IUPAC name of methyl (2S,3S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-tri(propan-2-yl)silyloxypentanoate (CID 11212614) is methyl (2S,3S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-tri(propan-2-yl)silyloxypentanoate.

What is the SMILES notation for methyl (2S,3S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-tri(propan-2-yl)silyloxypentanoate?

The canonical SMILES for methyl (2S,3S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-tri(propan-2-yl)silyloxypentanoate is COC(=O)[C@H]([C@@H](C)CCO[Si](C(C)C)(C(C)C)C(C)C)N(C)C(=O)OC(C)(C)C.

What is the InChIKey of methyl (2S,3S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-tri(propan-2-yl)silyloxypentanoate?

The InChIKey is ZZGWGODLBWREDG-OALUTQOASA-N. The full InChI is InChI=1S/C22H45NO5Si/c1-15(2)29(16(3)4,17(5)6)27-14-13-18(7)19(20(24)26-12)23(11)21(25)28-22(8,9)10/h15-19H,13-14H2,1-12H3/t18-,19-/m0/s1.

What are the key properties of methyl (2S,3S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-tri(propan-2-yl)silyloxypentanoate?

methyl (2S,3S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-tri(propan-2-yl)silyloxypentanoate has a molecular weight of 431.69 g/mol, XLogP of 5.61, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S,3S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-tri(propan-2-yl)silyloxypentanoate is sourced from PubChem (CID 11212614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).