2-[4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetate

C17H32NO4SSi- — CID 86594639

IUPAC2-[4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CCC(=O)N1CCCCSCC(=O)[O-]
InChIInChI=1S/C17H33NO4SSi/c1-17(2,3)24(4,5)22-12-14-8-9-15(19)18(14)10-6-7-11-23-13-16(20)21/h14H,6-13H2,1-5H3,(H,20,21)/p-1/t14-/m1/s1
InChIKeyTYNBQPAXOZCFOB-CQSZACIVSA-M
MW374.60 g/mol
LogP2.26
Rot. Bonds10

About 2-[4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetate

2-[4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetate (PubChem CID 86594639) has the molecular formula C17H32NO4SSi- and a molecular weight of 374.60 g/mol. Its IUPAC name is 2-[4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetate.

Molecular Properties

Compound Name2-[4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetate
PubChem CID86594639
Molecular FormulaC17H32NO4SSi-
Molecular Weight374.60 g/mol
Exact Mass374.18
IUPAC Name2-[4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CCC(=O)N1CCCCSCC(=O)[O-]
InChIInChI=1S/C17H33NO4SSi/c1-17(2,3)24(4,5)22-12-14-8-9-15(19)18(14)10-6-7-11-23-13-16(20)21/h14H,6-13H2,1-5H3,(H,20,21)/p-1/t14-/m1/s1
InChIKeyTYNBQPAXOZCFOB-CQSZACIVSA-M
XLogP2.26
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.60
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetate?
The IUPAC name of 2-[4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetate (CID 86594639) is 2-[4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetate.
What is the SMILES notation for 2-[4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetate?
The canonical SMILES for 2-[4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetate is CC(C)(C)[Si](C)(C)OC[C@H]1CCC(=O)N1CCCCSCC(=O)[O-].
What is the InChIKey of 2-[4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetate?
The InChIKey is TYNBQPAXOZCFOB-CQSZACIVSA-M. The full InChI is InChI=1S/C17H33NO4SSi/c1-17(2,3)24(4,5)22-12-14-8-9-15(19)18(14)10-6-7-11-23-13-16(20)21/h14H,6-13H2,1-5H3,(H,20,21)/p-1/t14-/m1/s1.
What are the key properties of 2-[4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetate?
2-[4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetate has a molecular weight of 374.60 g/mol, XLogP of 2.26, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetate is sourced from PubChem (CID 86594639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).