3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid

C30H43N3O6Si — CID 69055967

IUPAC3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)NC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)O)CC1
InChIInChI=1S/C30H43N3O6Si/c1-29(2,3)39-28(37)33-19-17-22(18-20-33)31-27(36)32-25(26(34)35)21-38-40(30(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,22,25H,17-21H2,1-6H3,(H,34,35)(H2,31,32,36)
InChIKeyRZYCJNSHJWMXEE-UHFFFAOYSA-N
MW569.78 g/mol
LogP3.71
Rot. Bonds8

About 3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid

3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid (PubChem CID 69055967) has the molecular formula C30H43N3O6Si and a molecular weight of 569.78 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid
PubChem CID69055967
Molecular FormulaC30H43N3O6Si
Molecular Weight569.78 g/mol
Exact Mass569.29
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)NC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)O)CC1
InChIInChI=1S/C30H43N3O6Si/c1-29(2,3)39-28(37)33-19-17-22(18-20-33)31-27(36)32-25(26(34)35)21-38-40(30(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,22,25H,17-21H2,1-6H3,(H,34,35)(H2,31,32,36)
InChIKeyRZYCJNSHJWMXEE-UHFFFAOYSA-N
XLogP3.71
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.78
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid (CID 69055967) is 3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid is CC(C)(C)OC(=O)N1CCC(NC(=O)NC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)O)CC1.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid?
The InChIKey is RZYCJNSHJWMXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N3O6Si/c1-29(2,3)39-28(37)33-19-17-22(18-20-33)31-27(36)32-25(26(34)35)21-38-40(30(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,22,25H,17-21H2,1-6H3,(H,34,35)(H2,31,32,36).
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid?
3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid has a molecular weight of 569.78 g/mol, XLogP of 3.71, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid is sourced from PubChem (CID 69055967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).