tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]pyrrolidine-1-carboxylate

C24H51NO5Si2 — CID 22865019

IUPACtert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H51NO5Si2/c1-22(2,3)29-21(27)25-17-18(30-32(12,13)24(7,8)9)16-19(25)20(26)14-15-28-31(10,11)23(4,5)6/h18-20,26H,14-17H2,1-13H3/t18-,19+,20+/m1/s1
InChIKeyRNQVRNGQWQYUKG-AABGKKOBSA-N
MW489.85 g/mol
LogP6.16
Rot. Bonds7

About tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]pyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]pyrrolidine-1-carboxylate (PubChem CID 22865019) has the molecular formula C24H51NO5Si2 and a molecular weight of 489.85 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]pyrrolidine-1-carboxylate
PubChem CID22865019
Molecular FormulaC24H51NO5Si2
Molecular Weight489.85 g/mol
Exact Mass489.33
IUPAC Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H51NO5Si2/c1-22(2,3)29-21(27)25-17-18(30-32(12,13)24(7,8)9)16-19(25)20(26)14-15-28-31(10,11)23(4,5)6/h18-20,26H,14-17H2,1-13H3/t18-,19+,20+/m1/s1
InChIKeyRNQVRNGQWQYUKG-AABGKKOBSA-N
XLogP6.16
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.85
LogP ≤ 56.16
H-Bond Donors ≤ 51
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 tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]pyrrolidine-1-carboxylate (CID 22865019) is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@@H](O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]pyrrolidine-1-carboxylate?
The InChIKey is RNQVRNGQWQYUKG-AABGKKOBSA-N. The full InChI is InChI=1S/C24H51NO5Si2/c1-22(2,3)29-21(27)25-17-18(30-32(12,13)24(7,8)9)16-19(25)20(26)14-15-28-31(10,11)23(4,5)6/h18-20,26H,14-17H2,1-13H3/t18-,19+,20+/m1/s1.
What are the key properties of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]pyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]pyrrolidine-1-carboxylate has a molecular weight of 489.85 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 22865019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).