methyl 2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoate

C20H27NO3Si — CID 68565441

IUPACmethyl 2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoate
SMILESCOC(=O)C(N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H27NO3Si/c1-20(2,3)25(16-11-7-5-8-12-16,17-13-9-6-10-14-17)24-15-18(21)19(22)23-4/h5-14,18H,15,21H2,1-4H3
InChIKeySGCBFHSYJRJRKD-UHFFFAOYSA-N
MW357.53 g/mol
LogP2.06
Rot. Bonds6

About methyl 2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoate

methyl 2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoate (PubChem CID 68565441) has the molecular formula C20H27NO3Si and a molecular weight of 357.53 g/mol. Its IUPAC name is methyl 2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoate
PubChem CID68565441
Molecular FormulaC20H27NO3Si
Molecular Weight357.53 g/mol
Exact Mass357.18
IUPAC Namemethyl 2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoate
SMILESCOC(=O)C(N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H27NO3Si/c1-20(2,3)25(16-11-7-5-8-12-16,17-13-9-6-10-14-17)24-15-18(21)19(22)23-4/h5-14,18H,15,21H2,1-4H3
InChIKeySGCBFHSYJRJRKD-UHFFFAOYSA-N
XLogP2.06
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoate?
The IUPAC name of methyl 2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoate (CID 68565441) is methyl 2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoate.
What is the SMILES notation for methyl 2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoate?
The canonical SMILES for methyl 2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoate is COC(=O)C(N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl 2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoate?
The InChIKey is SGCBFHSYJRJRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3Si/c1-20(2,3)25(16-11-7-5-8-12-16,17-13-9-6-10-14-17)24-15-18(21)19(22)23-4/h5-14,18H,15,21H2,1-4H3.
What are the key properties of methyl 2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoate?
methyl 2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoate has a molecular weight of 357.53 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoate is sourced from PubChem (CID 68565441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).