[ditert-butyl(phenyl)silyl] (2S)-2-amino-3-phenylpropanoate

C23H33NO2Si — CID 155614684

IUPAC[ditert-butyl(phenyl)silyl] (2S)-2-amino-3-phenylpropanoate
SMILESCC(C)(C)[Si](OC(=O)[C@@H](N)Cc1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H33NO2Si/c1-22(2,3)27(23(4,5)6,19-15-11-8-12-16-19)26-21(25)20(24)17-18-13-9-7-10-14-18/h7-16,20H,17,24H2,1-6H3/t20-/m0/s1
InChIKeyKOSBVXMZWUJWPS-FQEVSTJZSA-N
MW383.61 g/mol
LogP4.55
Rot. Bonds5

About [ditert-butyl(phenyl)silyl] (2S)-2-amino-3-phenylpropanoate

[ditert-butyl(phenyl)silyl] (2S)-2-amino-3-phenylpropanoate (PubChem CID 155614684) has the molecular formula C23H33NO2Si and a molecular weight of 383.61 g/mol. Its IUPAC name is [ditert-butyl(phenyl)silyl] (2S)-2-amino-3-phenylpropanoate.

Molecular Properties

Compound Name[ditert-butyl(phenyl)silyl] (2S)-2-amino-3-phenylpropanoate
PubChem CID155614684
Molecular FormulaC23H33NO2Si
Molecular Weight383.61 g/mol
Exact Mass383.23
IUPAC Name[ditert-butyl(phenyl)silyl] (2S)-2-amino-3-phenylpropanoate
SMILESCC(C)(C)[Si](OC(=O)[C@@H](N)Cc1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H33NO2Si/c1-22(2,3)27(23(4,5)6,19-15-11-8-12-16-19)26-21(25)20(24)17-18-13-9-7-10-14-18/h7-16,20H,17,24H2,1-6H3/t20-/m0/s1
InChIKeyKOSBVXMZWUJWPS-FQEVSTJZSA-N
XLogP4.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.61
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[di(butan-2-yl)-tert-butylsilyl] (2S)-2-amino-3-phenylpropanoate
CID 155614627
[[(2S)-2-amino-3-phenylpropanoyl]oxy-dimethylstannyl] (2S)-2-amino-3-phenylpropanoate
CID 124629701
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
CID 175525029
CID 175525029
4-amino-5-phenylpentane-2,3-dione
CID 20504562
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride
CID 141206452
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
deuteriomethyl (2S)-2-amino-3-phenylpropanoate
CID 56622485
2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate
CID 22763650
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
2-methoxyethyl (2R)-2-amino-3-phenylpropanoate
CID 104902257

Frequently Asked Questions

What is the IUPAC name of [ditert-butyl(phenyl)silyl] (2S)-2-amino-3-phenylpropanoate?
The IUPAC name of [ditert-butyl(phenyl)silyl] (2S)-2-amino-3-phenylpropanoate (CID 155614684) is [ditert-butyl(phenyl)silyl] (2S)-2-amino-3-phenylpropanoate.
What is the SMILES notation for [ditert-butyl(phenyl)silyl] (2S)-2-amino-3-phenylpropanoate?
The canonical SMILES for [ditert-butyl(phenyl)silyl] (2S)-2-amino-3-phenylpropanoate is CC(C)(C)[Si](OC(=O)[C@@H](N)Cc1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [ditert-butyl(phenyl)silyl] (2S)-2-amino-3-phenylpropanoate?
The InChIKey is KOSBVXMZWUJWPS-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H33NO2Si/c1-22(2,3)27(23(4,5)6,19-15-11-8-12-16-19)26-21(25)20(24)17-18-13-9-7-10-14-18/h7-16,20H,17,24H2,1-6H3/t20-/m0/s1.
What are the key properties of [ditert-butyl(phenyl)silyl] (2S)-2-amino-3-phenylpropanoate?
[ditert-butyl(phenyl)silyl] (2S)-2-amino-3-phenylpropanoate has a molecular weight of 383.61 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ditert-butyl(phenyl)silyl] (2S)-2-amino-3-phenylpropanoate is sourced from PubChem (CID 155614684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).