methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate

C18H29NO5Si — CID 11394519

IUPACmethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H29NO5Si/c1-18(2,3)25(5,6)24-13-15(16(20)22-4)19-17(21)23-12-14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3,(H,19,21)
InChIKeyMGMBDAZINVGJIJ-UHFFFAOYSA-N
MW367.52 g/mol
LogP3.48
Rot. Bonds7

About methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate

methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate (PubChem CID 11394519) has the molecular formula C18H29NO5Si and a molecular weight of 367.52 g/mol. Its IUPAC name is methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate
PubChem CID11394519
Molecular FormulaC18H29NO5Si
Molecular Weight367.52 g/mol
Exact Mass367.18
IUPAC Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H29NO5Si/c1-18(2,3)25(5,6)24-13-15(16(20)22-4)19-17(21)23-12-14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3,(H,19,21)
InChIKeyMGMBDAZINVGJIJ-UHFFFAOYSA-N
XLogP3.48
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate (CID 11394519) is methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate is COC(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)OCc1ccccc1.
What is the InChIKey of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is MGMBDAZINVGJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO5Si/c1-18(2,3)25(5,6)24-13-15(16(20)22-4)19-17(21)23-12-14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3,(H,19,21).
What are the key properties of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate?
methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 367.52 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 11394519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).