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

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

(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid (PubChem CID 68825752) has the molecular formula C30H43N3O6Si and a molecular weight of 569.78 g/mol. Its IUPAC name is (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name	(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid
PubChem CID	68825752
Molecular Formula	C30H43N3O6Si
Molecular Weight	569.78 g/mol
Exact Mass	569.29
IUPAC Name	(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid
SMILES	CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)O)CC1
InChI	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)/t25-/m0/s1
InChIKey	RZYCJNSHJWMXEE-VWLOTQADSA-N
XLogP	3.71
TPSA	117.20 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.78
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid?

The IUPAC name of (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid (CID 68825752) is (2S)-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 (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid?

The canonical SMILES for (2S)-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)N[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)O)CC1.

What is the InChIKey of (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid?

The InChIKey is RZYCJNSHJWMXEE-VWLOTQADSA-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)/t25-/m0/s1.

What are the key properties of (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid?

(2S)-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 (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid is sourced from PubChem (CID 68825752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).