(2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propan-2-ol

C13H29NO2Si — CID 140851392

IUPAC(2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CC[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H29NO2Si/c1-11(15)9-14-8-7-12(10-14)16-17(5,6)13(2,3)4/h11-12,15H,7-10H2,1-6H3/t11-,12+/m1/s1
InChIKeyZQDSTAPWXCLPCX-NEPJUHHUSA-N
MW259.47 g/mol
LogP2.46
Rot. Bonds4

About (2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propan-2-ol

(2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propan-2-ol (PubChem CID 140851392) has the molecular formula C13H29NO2Si and a molecular weight of 259.47 g/mol. Its IUPAC name is (2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propan-2-ol
PubChem CID140851392
Molecular FormulaC13H29NO2Si
Molecular Weight259.47 g/mol
Exact Mass259.20
IUPAC Name(2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CC[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H29NO2Si/c1-11(15)9-14-8-7-12(10-14)16-17(5,6)13(2,3)4/h11-12,15H,7-10H2,1-6H3/t11-,12+/m1/s1
InChIKeyZQDSTAPWXCLPCX-NEPJUHHUSA-N
XLogP2.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propan-2-ol (CID 140851392) is (2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propan-2-ol is C[C@@H](O)CN1CC[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propan-2-ol?
The InChIKey is ZQDSTAPWXCLPCX-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H29NO2Si/c1-11(15)9-14-8-7-12(10-14)16-17(5,6)13(2,3)4/h11-12,15H,7-10H2,1-6H3/t11-,12+/m1/s1.
What are the key properties of (2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propan-2-ol?
(2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propan-2-ol has a molecular weight of 259.47 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 140851392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).