tert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-2-carboxylate

C18H37NO5Si — CID 11245824

IUPACtert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](C(O)CO)N1
InChIInChI=1S/C18H37NO5Si/c1-17(2,3)24-16(22)13-9-12(15(19-13)14(21)10-20)11-23-25(7,8)18(4,5)6/h12-15,19-21H,9-11H2,1-8H3/t12-,13+,14?,15+/m0/s1
InChIKeyJADJTFNPXDAIST-MCBWDKPDSA-N
MW375.58 g/mol
LogP2.05
Rot. Bonds6

About tert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-2-carboxylate

tert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-2-carboxylate (PubChem CID 11245824) has the molecular formula C18H37NO5Si and a molecular weight of 375.58 g/mol. Its IUPAC name is tert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-2-carboxylate
PubChem CID11245824
Molecular FormulaC18H37NO5Si
Molecular Weight375.58 g/mol
Exact Mass375.24
IUPAC Nametert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](C(O)CO)N1
InChIInChI=1S/C18H37NO5Si/c1-17(2,3)24-16(22)13-9-12(15(19-13)14(21)10-20)11-23-25(7,8)18(4,5)6/h12-15,19-21H,9-11H2,1-8H3/t12-,13+,14?,15+/m0/s1
InChIKeyJADJTFNPXDAIST-MCBWDKPDSA-N
XLogP2.05
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.58
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-2-carboxylate (CID 11245824) is tert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-2-carboxylate is CC(C)(C)OC(=O)[C@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](C(O)CO)N1.
What is the InChIKey of tert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-2-carboxylate?
The InChIKey is JADJTFNPXDAIST-MCBWDKPDSA-N. The full InChI is InChI=1S/C18H37NO5Si/c1-17(2,3)24-16(22)13-9-12(15(19-13)14(21)10-20)11-23-25(7,8)18(4,5)6/h12-15,19-21H,9-11H2,1-8H3/t12-,13+,14?,15+/m0/s1.
What are the key properties of tert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-2-carboxylate?
tert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-2-carboxylate has a molecular weight of 375.58 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 11245824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).