(3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxypyrrolidin-2-one

C21H27NO4Si — CID 10667817

IUPAC(3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxypyrrolidin-2-one
SMILESCC(C)(C)[Si](OC[C@H]1NC(=O)[C@@H](O)[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO4Si/c1-21(2,3)27(15-10-6-4-7-11-15,16-12-8-5-9-13-16)26-14-17-18(23)19(24)20(25)22-17/h4-13,17-19,23-24H,14H2,1-3H3,(H,22,25)/t17-,18-,19+/m1/s1
InChIKeyVRXHJBABHLAKLL-QRVBRYPASA-N
MW385.54 g/mol
LogP0.78
Rot. Bonds5

About (3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxypyrrolidin-2-one

(3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxypyrrolidin-2-one (PubChem CID 10667817) has the molecular formula C21H27NO4Si and a molecular weight of 385.54 g/mol. Its IUPAC name is (3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxypyrrolidin-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxypyrrolidin-2-one
PubChem CID10667817
Molecular FormulaC21H27NO4Si
Molecular Weight385.54 g/mol
Exact Mass385.17
IUPAC Name(3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxypyrrolidin-2-one
SMILESCC(C)(C)[Si](OC[C@H]1NC(=O)[C@@H](O)[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO4Si/c1-21(2,3)27(15-10-6-4-7-11-15,16-12-8-5-9-13-16)26-14-17-18(23)19(24)20(25)22-17/h4-13,17-19,23-24H,14H2,1-3H3,(H,22,25)/t17-,18-,19+/m1/s1
InChIKeyVRXHJBABHLAKLL-QRVBRYPASA-N
XLogP0.78
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
ethyl 2-[(2S,3S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-4-phenylpyrrolidin-3-yl]acetate
CID 10940237
ethyl 2-[(2R,3R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-4-phenylpyrrolidin-3-yl]acetate
CID 15408492
ethyl 2-[(2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-4-phenylpyrrolidin-3-yl]acetate
CID 15408493
(3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-4-methyloxolan-2-one
CID 11731767
5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 58011546
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
trans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol
CID 101065622
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid
CID 22169739
(3S,8S,8aS)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-hydroxy-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 11112628
(5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one
CID 101261245

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxypyrrolidin-2-one?
The IUPAC name of (3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxypyrrolidin-2-one (CID 10667817) is (3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxypyrrolidin-2-one.
What is the SMILES notation for (3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxypyrrolidin-2-one?
The canonical SMILES for (3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxypyrrolidin-2-one is CC(C)(C)[Si](OC[C@H]1NC(=O)[C@@H](O)[C@@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxypyrrolidin-2-one?
The InChIKey is VRXHJBABHLAKLL-QRVBRYPASA-N. The full InChI is InChI=1S/C21H27NO4Si/c1-21(2,3)27(15-10-6-4-7-11-15,16-12-8-5-9-13-16)26-14-17-18(23)19(24)20(25)22-17/h4-13,17-19,23-24H,14H2,1-3H3,(H,22,25)/t17-,18-,19+/m1/s1.
What are the key properties of (3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxypyrrolidin-2-one?
(3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxypyrrolidin-2-one has a molecular weight of 385.54 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxypyrrolidin-2-one is sourced from PubChem (CID 10667817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).