methyl (E,2R,3S)-2-amino-3-[dimethyl(phenyl)silyl]hex-4-enoate

C15H23NO2Si — CID 91978338

IUPACmethyl (E,2R,3S)-2-amino-3-[dimethyl(phenyl)silyl]hex-4-enoate
SMILESC/C=C/[C@@H]([C@H](N)C(=O)OC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H23NO2Si/c1-5-9-13(14(16)15(17)18-2)19(3,4)12-10-7-6-8-11-12/h5-11,13-14H,16H2,1-4H3/b9-5+/t13-,14-/m0/s1
InChIKeyCFWRSJYKVWJZRG-OQOLLCEYSA-N
MW277.44 g/mol
LogP2.05
Rot. Bonds5

About methyl (E,2R,3S)-2-amino-3-[dimethyl(phenyl)silyl]hex-4-enoate

methyl (E,2R,3S)-2-amino-3-[dimethyl(phenyl)silyl]hex-4-enoate (PubChem CID 91978338) has the molecular formula C15H23NO2Si and a molecular weight of 277.44 g/mol. Its IUPAC name is methyl (E,2R,3S)-2-amino-3-[dimethyl(phenyl)silyl]hex-4-enoate.

Molecular Properties

Compound Namemethyl (E,2R,3S)-2-amino-3-[dimethyl(phenyl)silyl]hex-4-enoate
PubChem CID91978338
Molecular FormulaC15H23NO2Si
Molecular Weight277.44 g/mol
Exact Mass277.15
IUPAC Namemethyl (E,2R,3S)-2-amino-3-[dimethyl(phenyl)silyl]hex-4-enoate
SMILESC/C=C/[C@@H]([C@H](N)C(=O)OC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H23NO2Si/c1-5-9-13(14(16)15(17)18-2)19(3,4)12-10-7-6-8-11-12/h5-11,13-14H,16H2,1-4H3/b9-5+/t13-,14-/m0/s1
InChIKeyCFWRSJYKVWJZRG-OQOLLCEYSA-N
XLogP2.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (E,2R,3S)-2-amino-3-[dimethyl(phenyl)silyl]hex-4-enoate?
The IUPAC name of methyl (E,2R,3S)-2-amino-3-[dimethyl(phenyl)silyl]hex-4-enoate (CID 91978338) is methyl (E,2R,3S)-2-amino-3-[dimethyl(phenyl)silyl]hex-4-enoate.
What is the SMILES notation for methyl (E,2R,3S)-2-amino-3-[dimethyl(phenyl)silyl]hex-4-enoate?
The canonical SMILES for methyl (E,2R,3S)-2-amino-3-[dimethyl(phenyl)silyl]hex-4-enoate is C/C=C/[C@@H]([C@H](N)C(=O)OC)[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl (E,2R,3S)-2-amino-3-[dimethyl(phenyl)silyl]hex-4-enoate?
The InChIKey is CFWRSJYKVWJZRG-OQOLLCEYSA-N. The full InChI is InChI=1S/C15H23NO2Si/c1-5-9-13(14(16)15(17)18-2)19(3,4)12-10-7-6-8-11-12/h5-11,13-14H,16H2,1-4H3/b9-5+/t13-,14-/m0/s1.
What are the key properties of methyl (E,2R,3S)-2-amino-3-[dimethyl(phenyl)silyl]hex-4-enoate?
methyl (E,2R,3S)-2-amino-3-[dimethyl(phenyl)silyl]hex-4-enoate has a molecular weight of 277.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,2R,3S)-2-amino-3-[dimethyl(phenyl)silyl]hex-4-enoate is sourced from PubChem (CID 91978338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).