3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylic acid

C20H25NO3Si — CID 66710032

IUPAC3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OC1CN(C(=O)O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO3Si/c1-20(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-16-14-21(15-16)19(22)23/h4-13,16H,14-15H2,1-3H3,(H,22,23)
InChIKeyJJULGKDETFHWKX-UHFFFAOYSA-N
MW355.51 g/mol
LogP2.93
Rot. Bonds4

About 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylic acid

3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylic acid (PubChem CID 66710032) has the molecular formula C20H25NO3Si and a molecular weight of 355.51 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylic acid
PubChem CID66710032
Molecular FormulaC20H25NO3Si
Molecular Weight355.51 g/mol
Exact Mass355.16
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OC1CN(C(=O)O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO3Si/c1-20(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-16-14-21(15-16)19(22)23/h4-13,16H,14-15H2,1-3H3,(H,22,23)
InChIKeyJJULGKDETFHWKX-UHFFFAOYSA-N
XLogP2.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 52.93
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

CID 172708228
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CID 173677873
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CID 174056730
CID 174056730
CID 175815286
CID 175815286
CID 135074712
CID 135074712
CID 22242797
CID 22242797
CID 22242839
CID 22242839
CID 22242877
CID 22242877
CID 57504740
CID 57504740
CID 58072157
CID 58072157
CID 58756451
CID 58756451
CID 59750865
CID 59750865

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylic acid?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylic acid (CID 66710032) is 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylic acid.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylic acid?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylic acid is CC(C)(C)[Si](OC1CN(C(=O)O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylic acid?
The InChIKey is JJULGKDETFHWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3Si/c1-20(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-16-14-21(15-16)19(22)23/h4-13,16H,14-15H2,1-3H3,(H,22,23).
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylic acid?
3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylic acid has a molecular weight of 355.51 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylic acid is sourced from PubChem (CID 66710032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).