2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylic acid

C22H27NO3Si — CID 66982308

IUPAC2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylic acid
SMILESCC(C)(C)[Si](OCC1CC=CN1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO3Si/c1-22(2,3)27(19-12-6-4-7-13-19,20-14-8-5-9-15-20)26-17-18-11-10-16-23(18)21(24)25/h4-10,12-16,18H,11,17H2,1-3H3,(H,24,25)
InChIKeyVMTGARUXEOKWQX-UHFFFAOYSA-N
MW381.55 g/mol
LogP3.83
Rot. Bonds5

About 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylic acid

2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylic acid (PubChem CID 66982308) has the molecular formula C22H27NO3Si and a molecular weight of 381.55 g/mol. Its IUPAC name is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylic acid.

Molecular Properties

Compound Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylic acid
PubChem CID66982308
Molecular FormulaC22H27NO3Si
Molecular Weight381.55 g/mol
Exact Mass381.18
IUPAC Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylic acid
SMILESCC(C)(C)[Si](OCC1CC=CN1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO3Si/c1-22(2,3)27(19-12-6-4-7-13-19,20-14-8-5-9-15-20)26-17-18-11-10-16-23(18)21(24)25/h4-10,12-16,18H,11,17H2,1-3H3,(H,24,25)
InChIKeyVMTGARUXEOKWQX-UHFFFAOYSA-N
XLogP3.83
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S)-tert-butyl 2-((tert-butyldiphenylsilyloxy)methyl)-2,3-dihydro-1H-pyrrole-1-carboxylate
CID 13008516
[4-[Tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-methylcarbamic acid
CID 174056730
methyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate
CID 15483168
2-[Tert-butyl(diphenyl)silyl]oxyethyl-methylcarbamic acid
CID 22242797
1,1-dimethylethyl (2S)-2-({[(1,1-dimethylethyl)(diphenyl)silyl]oxy}methyl)-3,6-dihydro-1(2H)-pyridinecarboxylate
CID 59363640
3-[Tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylic acid
CID 66710032
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate
CID 66981808
tert-butyl N-[(Z)-but-1-enyl]-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate
CID 68062626
tert-butyl N-butan-2-yl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate
CID 68337402
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 68624744
2-[2-[Tert-butyl(diphenyl)silyl]oxyethoxy]ethyl-propan-2-ylcarbamic acid
CID 68807400
[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-carboxycarbamic acid
CID 71183686

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylic acid?
The IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylic acid (CID 66982308) is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylic acid.
What is the SMILES notation for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylic acid?
The canonical SMILES for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylic acid is CC(C)(C)[Si](OCC1CC=CN1C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylic acid?
The InChIKey is VMTGARUXEOKWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3Si/c1-22(2,3)27(19-12-6-4-7-13-19,20-14-8-5-9-15-20)26-17-18-11-10-16-23(18)21(24)25/h4-10,12-16,18H,11,17H2,1-3H3,(H,24,25).
What are the key properties of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylic acid?
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylic acid has a molecular weight of 381.55 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylic acid is sourced from PubChem (CID 66982308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).