(5S)-1-[2-(aminomethyl)-5-fluorophenyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one

C18H29FN2O2Si — CID 68890276

IUPAC(5S)-1-[2-(aminomethyl)-5-fluorophenyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC(=O)N1c1cc(F)ccc1CN
InChIInChI=1S/C18H29FN2O2Si/c1-18(2,3)24(4,5)23-12-15-8-9-17(22)21(15)16-10-14(19)7-6-13(16)11-20/h6-7,10,15H,8-9,11-12,20H2,1-5H3/t15-/m0/s1
InChIKeyZZXJXDUDSRRLMZ-HNNXBMFYSA-N
MW352.53 g/mol
LogP3.80
Rot. Bonds5

About (5S)-1-[2-(aminomethyl)-5-fluorophenyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one

(5S)-1-[2-(aminomethyl)-5-fluorophenyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one (PubChem CID 68890276) has the molecular formula C18H29FN2O2Si and a molecular weight of 352.53 g/mol. Its IUPAC name is (5S)-1-[2-(aminomethyl)-5-fluorophenyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[2-(aminomethyl)-5-fluorophenyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one
PubChem CID68890276
Molecular FormulaC18H29FN2O2Si
Molecular Weight352.53 g/mol
Exact Mass352.20
IUPAC Name(5S)-1-[2-(aminomethyl)-5-fluorophenyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC(=O)N1c1cc(F)ccc1CN
InChIInChI=1S/C18H29FN2O2Si/c1-18(2,3)24(4,5)23-12-15-8-9-17(22)21(15)16-10-14(19)7-6-13(16)11-20/h6-7,10,15H,8-9,11-12,20H2,1-5H3/t15-/m0/s1
InChIKeyZZXJXDUDSRRLMZ-HNNXBMFYSA-N
XLogP3.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 53.80
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 (5S)-1-[2-(aminomethyl)-5-fluorophenyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of (5S)-1-[2-(aminomethyl)-5-fluorophenyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one (CID 68890276) is (5S)-1-[2-(aminomethyl)-5-fluorophenyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-[2-(aminomethyl)-5-fluorophenyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-1-[2-(aminomethyl)-5-fluorophenyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one is CC(C)(C)[Si](C)(C)OC[C@@H]1CCC(=O)N1c1cc(F)ccc1CN.
What is the InChIKey of (5S)-1-[2-(aminomethyl)-5-fluorophenyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one?
The InChIKey is ZZXJXDUDSRRLMZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29FN2O2Si/c1-18(2,3)24(4,5)23-12-15-8-9-17(22)21(15)16-10-14(19)7-6-13(16)11-20/h6-7,10,15H,8-9,11-12,20H2,1-5H3/t15-/m0/s1.
What are the key properties of (5S)-1-[2-(aminomethyl)-5-fluorophenyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one?
(5S)-1-[2-(aminomethyl)-5-fluorophenyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one has a molecular weight of 352.53 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[2-(aminomethyl)-5-fluorophenyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 68890276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).