methyl 3-[benzyl(dimethyl)silyl]-2-(phenylmethoxycarbonylamino)propanoate

C21H27NO4Si — CID 69475126

IUPACmethyl 3-[benzyl(dimethyl)silyl]-2-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)C(C[Si](C)(C)Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C21H27NO4Si/c1-25-20(23)19(16-27(2,3)15-18-12-8-5-9-13-18)22-21(24)26-14-17-10-6-4-7-11-17/h4-13,19H,14-16H2,1-3H3,(H,22,24)
InChIKeyQXAUWJIHTJWZHP-UHFFFAOYSA-N
MW385.54 g/mol
LogP3.94
Rot. Bonds8

About methyl 3-[benzyl(dimethyl)silyl]-2-(phenylmethoxycarbonylamino)propanoate

methyl 3-[benzyl(dimethyl)silyl]-2-(phenylmethoxycarbonylamino)propanoate (PubChem CID 69475126) has the molecular formula C21H27NO4Si and a molecular weight of 385.54 g/mol. Its IUPAC name is methyl 3-[benzyl(dimethyl)silyl]-2-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-[benzyl(dimethyl)silyl]-2-(phenylmethoxycarbonylamino)propanoate
PubChem CID69475126
Molecular FormulaC21H27NO4Si
Molecular Weight385.54 g/mol
Exact Mass385.17
IUPAC Namemethyl 3-[benzyl(dimethyl)silyl]-2-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)C(C[Si](C)(C)Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C21H27NO4Si/c1-25-20(23)19(16-27(2,3)15-18-12-8-5-9-13-18)22-21(24)26-14-17-10-6-4-7-11-17/h4-13,19H,14-16H2,1-3H3,(H,22,24)
InChIKeyQXAUWJIHTJWZHP-UHFFFAOYSA-N
XLogP3.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(phenylmethoxycarbonylamino)butanoate
CID 562283
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
methyl 2,3-bis(phenylmethoxycarbonylamino)propanoate
CID 130148530
methyl (2R)-3-(chloroamino)-2-(phenylmethoxycarbonylamino)propanoate
CID 89131387
methyl 3-[4-(hydroxymethyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoate
CID 67401665
methyl (2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoate
CID 11312025
methyl (2S)-3-(2,2-dimethylpropoxy)-2-(phenylmethoxycarbonylamino)propanoate
CID 69349416
methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate
CID 12990920
methyl (2R)-5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate
CID 66909168
methyl 3-(4-aminophenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 118308465
CID 10887775
CID 10887775
methyl 3-(4-ethylphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 59585305

Frequently Asked Questions

What is the IUPAC name of methyl 3-[benzyl(dimethyl)silyl]-2-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of methyl 3-[benzyl(dimethyl)silyl]-2-(phenylmethoxycarbonylamino)propanoate (CID 69475126) is methyl 3-[benzyl(dimethyl)silyl]-2-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for methyl 3-[benzyl(dimethyl)silyl]-2-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for methyl 3-[benzyl(dimethyl)silyl]-2-(phenylmethoxycarbonylamino)propanoate is COC(=O)C(C[Si](C)(C)Cc1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of methyl 3-[benzyl(dimethyl)silyl]-2-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is QXAUWJIHTJWZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4Si/c1-25-20(23)19(16-27(2,3)15-18-12-8-5-9-13-18)22-21(24)26-14-17-10-6-4-7-11-17/h4-13,19H,14-16H2,1-3H3,(H,22,24).
What are the key properties of methyl 3-[benzyl(dimethyl)silyl]-2-(phenylmethoxycarbonylamino)propanoate?
methyl 3-[benzyl(dimethyl)silyl]-2-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 385.54 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[benzyl(dimethyl)silyl]-2-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 69475126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).