(2S)-3-phenyl-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoic acid

C21H27NO4Si — CID 11222892

IUPAC(2S)-3-phenyl-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoic acid
SMILESC[Si](C)(C)C(COC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1
InChIInChI=1S/C21H27NO4Si/c1-27(2,3)19(17-12-8-5-9-13-17)15-26-21(25)22-18(20(23)24)14-16-10-6-4-7-11-16/h4-13,18-19H,14-15H2,1-3H3,(H,22,25)(H,23,24)/t18-,19?/m0/s1
InChIKeyRQFNSLZAAWBINZ-OYKVQYDMSA-N
MW385.54 g/mol
LogP4.07
Rot. Bonds8

About (2S)-3-phenyl-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoic acid

(2S)-3-phenyl-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoic acid (PubChem CID 11222892) has the molecular formula C21H27NO4Si and a molecular weight of 385.54 g/mol. Its IUPAC name is (2S)-3-phenyl-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-phenyl-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoic acid
PubChem CID11222892
Molecular FormulaC21H27NO4Si
Molecular Weight385.54 g/mol
Exact Mass385.17
IUPAC Name(2S)-3-phenyl-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoic acid
SMILESC[Si](C)(C)C(COC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1
InChIInChI=1S/C21H27NO4Si/c1-27(2,3)19(17-12-8-5-9-13-17)15-26-21(25)22-18(20(23)24)14-16-10-6-4-7-11-16/h4-13,18-19H,14-15H2,1-3H3,(H,22,25)(H,23,24)/t18-,19?/m0/s1
InChIKeyRQFNSLZAAWBINZ-OYKVQYDMSA-N
XLogP4.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 54.07
H-Bond Donors ≤ 52
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 (2S)-3-phenyl-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoic acid?
The IUPAC name of (2S)-3-phenyl-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoic acid (CID 11222892) is (2S)-3-phenyl-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoic acid.
What is the SMILES notation for (2S)-3-phenyl-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoic acid?
The canonical SMILES for (2S)-3-phenyl-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoic acid is C[Si](C)(C)C(COC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-3-phenyl-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoic acid?
The InChIKey is RQFNSLZAAWBINZ-OYKVQYDMSA-N. The full InChI is InChI=1S/C21H27NO4Si/c1-27(2,3)19(17-12-8-5-9-13-17)15-26-21(25)22-18(20(23)24)14-16-10-6-4-7-11-16/h4-13,18-19H,14-15H2,1-3H3,(H,22,25)(H,23,24)/t18-,19?/m0/s1.
What are the key properties of (2S)-3-phenyl-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoic acid?
(2S)-3-phenyl-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoic acid has a molecular weight of 385.54 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoic acid is sourced from PubChem (CID 11222892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).