(3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one

C19H31NO3Si — CID 154429024

IUPAC(3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
SMILESC[C@@H](c1ccccc1)N1C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)C1=O
InChIInChI=1S/C19H31NO3Si/c1-14(15-10-8-7-9-11-15)20-12-16(17(21)18(20)22)13-23-24(5,6)19(2,3)4/h7-11,14,16-17,21H,12-13H2,1-6H3/t14-,16-,17-/m0/s1
InChIKeyMWUKZFVZRRXNCQ-XIRDDKMYSA-N
MW349.55 g/mol
LogP3.59
Rot. Bonds5

About (3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one

(3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one (PubChem CID 154429024) has the molecular formula C19H31NO3Si and a molecular weight of 349.55 g/mol. Its IUPAC name is (3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
PubChem CID154429024
Molecular FormulaC19H31NO3Si
Molecular Weight349.55 g/mol
Exact Mass349.21
IUPAC Name(3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
SMILESC[C@@H](c1ccccc1)N1C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)C1=O
InChIInChI=1S/C19H31NO3Si/c1-14(15-10-8-7-9-11-15)20-12-16(17(21)18(20)22)13-23-24(5,6)19(2,3)4/h7-11,14,16-17,21H,12-13H2,1-6H3/t14-,16-,17-/m0/s1
InChIKeyMWUKZFVZRRXNCQ-XIRDDKMYSA-N
XLogP3.59
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.55
LogP ≤ 53.59
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 (3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The IUPAC name of (3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one (CID 154429024) is (3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for (3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for (3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one is C[C@@H](c1ccccc1)N1C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)C1=O.
What is the InChIKey of (3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The InChIKey is MWUKZFVZRRXNCQ-XIRDDKMYSA-N. The full InChI is InChI=1S/C19H31NO3Si/c1-14(15-10-8-7-9-11-15)20-12-16(17(21)18(20)22)13-23-24(5,6)19(2,3)4/h7-11,14,16-17,21H,12-13H2,1-6H3/t14-,16-,17-/m0/s1.
What are the key properties of (3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
(3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one has a molecular weight of 349.55 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 154429024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).