tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(1S)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate

About tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(1S)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate

tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(1S)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate (PubChem CID 10650695) has the molecular formula C32H47NO6Si and a molecular weight of 569.82 g/mol. Its IUPAC name is tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(1S)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name	tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(1S)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate
PubChem CID	10650695
Molecular Formula	C32H47NO6Si
Molecular Weight	569.82 g/mol
Exact Mass	569.32
IUPAC Name	tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(1S)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate
SMILES	CC(C)(C)OC(=O)C[C@H](O)[C@H]1[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCN1C(=O)OC(C)(C)C
InChI	InChI=1S/C32H47NO6Si/c1-30(2,3)37-27(35)22-25(34)28-26(20-21-33(28)29(36)38-31(4,5)6)39-40(32(7,8)9,23-16-12-10-13-17-23)24-18-14-11-15-19-24/h10-19,25-26,28,34H,20-22H2,1-9H3/t25-,26-,28-/m0/s1
InChIKey	BRIGCPYLHGOWPI-NSVAZKTRSA-N
XLogP	5.03
TPSA	85.30 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.82
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(1S)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(1S)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate (CID 10650695) is tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(1S)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(1S)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(1S)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)C[C@H](O)[C@H]1[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCN1C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(1S)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate?

The InChIKey is BRIGCPYLHGOWPI-NSVAZKTRSA-N. The full InChI is InChI=1S/C32H47NO6Si/c1-30(2,3)37-27(35)22-25(34)28-26(20-21-33(28)29(36)38-31(4,5)6)39-40(32(7,8)9,23-16-12-10-13-17-23)24-18-14-11-15-19-24/h10-19,25-26,28,34H,20-22H2,1-9H3/t25-,26-,28-/m0/s1.

What are the key properties of tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(1S)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate?

tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(1S)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate has a molecular weight of 569.82 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(1S)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 10650695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).