(3S)-3-(2-aminophenyl)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-one

C17H28N2O2Si — CID 11847417

IUPAC(3S)-3-(2-aminophenyl)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-one
SMILESCN1CC[C@](O[Si](C)(C)C(C)(C)C)(c2ccccc2N)C1=O
InChIInChI=1S/C17H28N2O2Si/c1-16(2,3)22(5,6)21-17(11-12-19(4)15(17)20)13-9-7-8-10-14(13)18/h7-10H,11-12,18H2,1-6H3/t17-/m0/s1
InChIKeySVSZBEUVRQBDFX-KRWDZBQOSA-N
MW320.51 g/mol
LogP3.35
Rot. Bonds3

About (3S)-3-(2-aminophenyl)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-one

(3S)-3-(2-aminophenyl)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-one (PubChem CID 11847417) has the molecular formula C17H28N2O2Si and a molecular weight of 320.51 g/mol. Its IUPAC name is (3S)-3-(2-aminophenyl)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-(2-aminophenyl)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-one
PubChem CID11847417
Molecular FormulaC17H28N2O2Si
Molecular Weight320.51 g/mol
Exact Mass320.19
IUPAC Name(3S)-3-(2-aminophenyl)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-one
SMILESCN1CC[C@](O[Si](C)(C)C(C)(C)C)(c2ccccc2N)C1=O
InChIInChI=1S/C17H28N2O2Si/c1-16(2,3)22(5,6)21-17(11-12-19(4)15(17)20)13-9-7-8-10-14(13)18/h7-10H,11-12,18H2,1-6H3/t17-/m0/s1
InChIKeySVSZBEUVRQBDFX-KRWDZBQOSA-N
XLogP3.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-aminophenyl)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-one?
The IUPAC name of (3S)-3-(2-aminophenyl)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-one (CID 11847417) is (3S)-3-(2-aminophenyl)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-(2-aminophenyl)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-(2-aminophenyl)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-one is CN1CC[C@](O[Si](C)(C)C(C)(C)C)(c2ccccc2N)C1=O.
What is the InChIKey of (3S)-3-(2-aminophenyl)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-one?
The InChIKey is SVSZBEUVRQBDFX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H28N2O2Si/c1-16(2,3)22(5,6)21-17(11-12-19(4)15(17)20)13-9-7-8-10-14(13)18/h7-10H,11-12,18H2,1-6H3/t17-/m0/s1.
What are the key properties of (3S)-3-(2-aminophenyl)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-one?
(3S)-3-(2-aminophenyl)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-one has a molecular weight of 320.51 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-aminophenyl)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 11847417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).