tert-butyl (3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate

C17H35NO4Si — CID 91034299

IUPACtert-butyl (3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CO)C1
InChIInChI=1S/C17H35NO4Si/c1-16(2,3)22-15(20)18-9-13(11-19)14(10-18)12-21-23(7,8)17(4,5)6/h13-14,19H,9-12H2,1-8H3/t13-,14+/m1/s1
InChIKeyNEQWPSWFXDNURG-KGLIPLIRSA-N
MW345.56 g/mol
LogP3.48
Rot. Bonds4

About tert-butyl (3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate

tert-butyl (3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate (PubChem CID 91034299) has the molecular formula C17H35NO4Si and a molecular weight of 345.56 g/mol. Its IUPAC name is tert-butyl (3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate
PubChem CID91034299
Molecular FormulaC17H35NO4Si
Molecular Weight345.56 g/mol
Exact Mass345.23
IUPAC Nametert-butyl (3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CO)C1
InChIInChI=1S/C17H35NO4Si/c1-16(2,3)22-15(20)18-9-13(11-19)14(10-18)12-21-23(7,8)17(4,5)6/h13-14,19H,9-12H2,1-8H3/t13-,14+/m1/s1
InChIKeyNEQWPSWFXDNURG-KGLIPLIRSA-N
XLogP3.48
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.56
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3S,4S)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CID 59512458
tert-butyl (3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 93077844
tert-butyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 129407130
tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 66733511
tert-butyl 3-amino-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 171756063
tert-butyl (3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carboxylate
CID 135017355
tert-butyl (3S,4R)-3-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 97357366
tert-butyl (2R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)piperidine-1-carboxylate
CID 150868711
tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopiperazine-1-carboxylate
CID 170904003
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 69296261
tert-butyl 3-[2-(hydroxymethyl)cyclopropyl]azetidine-1-carboxylate
CID 130138495
cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one
CID 10753716

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate (CID 91034299) is tert-butyl (3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CO)C1.
What is the InChIKey of tert-butyl (3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is NEQWPSWFXDNURG-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H35NO4Si/c1-16(2,3)22-15(20)18-9-13(11-19)14(10-18)12-21-23(7,8)17(4,5)6/h13-14,19H,9-12H2,1-8H3/t13-,14+/m1/s1.
What are the key properties of tert-butyl (3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate?
tert-butyl (3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 345.56 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 91034299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).