methyl (2R)-2-amino-2-[2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxy-4-methylphenyl]acetate

C18H31NO5Si — CID 11187821

IUPACmethyl (2R)-2-amino-2-[2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxy-4-methylphenyl]acetate
SMILESCOC(=O)[C@H](N)c1cc(OC)c(C)c(OC)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H31NO5Si/c1-11-13(21-5)10-12(14(19)17(20)23-7)16(15(11)22-6)24-25(8,9)18(2,3)4/h10,14H,19H2,1-9H3/t14-/m1/s1
InChIKeyOCXGHSPVFXCNNM-CQSZACIVSA-N
MW369.53 g/mol
LogP3.57
Rot. Bonds6

About methyl (2R)-2-amino-2-[2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxy-4-methylphenyl]acetate

methyl (2R)-2-amino-2-[2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxy-4-methylphenyl]acetate (PubChem CID 11187821) has the molecular formula C18H31NO5Si and a molecular weight of 369.53 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-[2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxy-4-methylphenyl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-[2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxy-4-methylphenyl]acetate
PubChem CID11187821
Molecular FormulaC18H31NO5Si
Molecular Weight369.53 g/mol
Exact Mass369.20
IUPAC Namemethyl (2R)-2-amino-2-[2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxy-4-methylphenyl]acetate
SMILESCOC(=O)[C@H](N)c1cc(OC)c(C)c(OC)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H31NO5Si/c1-11-13(21-5)10-12(14(19)17(20)23-7)16(15(11)22-6)24-25(8,9)18(2,3)4/h10,14H,19H2,1-9H3/t14-/m1/s1
InChIKeyOCXGHSPVFXCNNM-CQSZACIVSA-N
XLogP3.57
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 (2R)-2-amino-2-[2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxy-4-methylphenyl]acetate?
The IUPAC name of methyl (2R)-2-amino-2-[2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxy-4-methylphenyl]acetate (CID 11187821) is methyl (2R)-2-amino-2-[2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxy-4-methylphenyl]acetate.
What is the SMILES notation for methyl (2R)-2-amino-2-[2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxy-4-methylphenyl]acetate?
The canonical SMILES for methyl (2R)-2-amino-2-[2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxy-4-methylphenyl]acetate is COC(=O)[C@H](N)c1cc(OC)c(C)c(OC)c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2R)-2-amino-2-[2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxy-4-methylphenyl]acetate?
The InChIKey is OCXGHSPVFXCNNM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H31NO5Si/c1-11-13(21-5)10-12(14(19)17(20)23-7)16(15(11)22-6)24-25(8,9)18(2,3)4/h10,14H,19H2,1-9H3/t14-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-[2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxy-4-methylphenyl]acetate?
methyl (2R)-2-amino-2-[2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxy-4-methylphenyl]acetate has a molecular weight of 369.53 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-[2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxy-4-methylphenyl]acetate is sourced from PubChem (CID 11187821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).