potassium (2S)-1-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]aziridine-2-carboxylate

C27H30KNO3Si — CID 101000100

IUPACpotassium (2S)-1-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]aziridine-2-carboxylate
SMILESCC(C)(C)[Si](OC[C@@H](c1ccccc1)N1C[C@H]1C(=O)[O-])(c1ccccc1)c1ccccc1.[K+]
InChIInChI=1S/C27H31NO3Si.K/c1-27(2,3)32(22-15-9-5-10-16-22,23-17-11-6-12-18-23)31-20-25(21-13-7-4-8-14-21)28-19-24(28)26(29)30;/h4-18,24-25H,19-20H2,1-3H3,(H,29,30);/q;+1/p-1/t24-,25-,28?;/m0./s1
InChIKeyGPZMWRLKZDJSIV-ZXRUWXMCSA-M
MW483.73 g/mol
LogP-0.26
Rot. Bonds8

About potassium (2S)-1-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]aziridine-2-carboxylate

potassium (2S)-1-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]aziridine-2-carboxylate (PubChem CID 101000100) has the molecular formula C27H30KNO3Si and a molecular weight of 483.73 g/mol. Its IUPAC name is potassium (2S)-1-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]aziridine-2-carboxylate.

Molecular Properties

Compound Namepotassium (2S)-1-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]aziridine-2-carboxylate
PubChem CID101000100
Molecular FormulaC27H30KNO3Si
Molecular Weight483.73 g/mol
Exact Mass483.16
IUPAC Namepotassium (2S)-1-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]aziridine-2-carboxylate
SMILESCC(C)(C)[Si](OC[C@@H](c1ccccc1)N1C[C@H]1C(=O)[O-])(c1ccccc1)c1ccccc1.[K+]
InChIInChI=1S/C27H31NO3Si.K/c1-27(2,3)32(22-15-9-5-10-16-22,23-17-11-6-12-18-23)31-20-25(21-13-7-4-8-14-21)28-19-24(28)26(29)30;/h4-18,24-25H,19-20H2,1-3H3,(H,29,30);/q;+1/p-1/t24-,25-,28?;/m0./s1
InChIKeyGPZMWRLKZDJSIV-ZXRUWXMCSA-M
XLogP-0.26
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.73
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R)-1-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]aziridine-2-carboxylate
CID 101000099
3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid
CID 168947861
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
1-phenylethyl 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]aziridine-2-carboxylate
CID 164898861
3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid
CID 86196394
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid
CID 22100308
tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane
CID 10439261
[(2S,3S)-3-acetyloxy-1-[tert-butyl(diphenyl)silyl]oxy-4-oxopentan-2-yl] acetate
CID 10072767

Frequently Asked Questions

What is the IUPAC name of potassium (2S)-1-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]aziridine-2-carboxylate?
The IUPAC name of potassium (2S)-1-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]aziridine-2-carboxylate (CID 101000100) is potassium (2S)-1-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]aziridine-2-carboxylate.
What is the SMILES notation for potassium (2S)-1-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]aziridine-2-carboxylate?
The canonical SMILES for potassium (2S)-1-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]aziridine-2-carboxylate is CC(C)(C)[Si](OC[C@@H](c1ccccc1)N1C[C@H]1C(=O)[O-])(c1ccccc1)c1ccccc1.[K+].
What is the InChIKey of potassium (2S)-1-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]aziridine-2-carboxylate?
The InChIKey is GPZMWRLKZDJSIV-ZXRUWXMCSA-M. The full InChI is InChI=1S/C27H31NO3Si.K/c1-27(2,3)32(22-15-9-5-10-16-22,23-17-11-6-12-18-23)31-20-25(21-13-7-4-8-14-21)28-19-24(28)26(29)30;/h4-18,24-25H,19-20H2,1-3H3,(H,29,30);/q;+1/p-1/t24-,25-,28?;/m0./s1.
What are the key properties of potassium (2S)-1-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]aziridine-2-carboxylate?
potassium (2S)-1-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]aziridine-2-carboxylate has a molecular weight of 483.73 g/mol, XLogP of -0.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2S)-1-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]aziridine-2-carboxylate is sourced from PubChem (CID 101000100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).