ethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate

C13H21NO2Si — CID 102211729

IUPACethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate
SMILESCCOC(=O)[C@@H](N)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C13H21NO2Si/c1-4-16-13(15)12(14)10-17(2,3)11-8-6-5-7-9-11/h5-9,12H,4,10,14H2,1-3H3/t12-/m0/s1
InChIKeyNHRFKNLSSBDTOL-LBPRGKRZSA-N
MW251.40 g/mol
LogP1.49
Rot. Bonds5

About ethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate

ethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate (PubChem CID 102211729) has the molecular formula C13H21NO2Si and a molecular weight of 251.40 g/mol. Its IUPAC name is ethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate
PubChem CID102211729
Molecular FormulaC13H21NO2Si
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC Nameethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate
SMILESCCOC(=O)[C@@H](N)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C13H21NO2Si/c1-4-16-13(15)12(14)10-17(2,3)11-8-6-5-7-9-11/h5-9,12H,4,10,14H2,1-3H3/t12-/m0/s1
InChIKeyNHRFKNLSSBDTOL-LBPRGKRZSA-N
XLogP1.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate?
The IUPAC name of ethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate (CID 102211729) is ethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate.
What is the SMILES notation for ethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate?
The canonical SMILES for ethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate is CCOC(=O)[C@@H](N)C[Si](C)(C)c1ccccc1.
What is the InChIKey of ethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate?
The InChIKey is NHRFKNLSSBDTOL-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21NO2Si/c1-4-16-13(15)12(14)10-17(2,3)11-8-6-5-7-9-11/h5-9,12H,4,10,14H2,1-3H3/t12-/m0/s1.
What are the key properties of ethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate?
ethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate has a molecular weight of 251.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate is sourced from PubChem (CID 102211729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).