methyl 3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzoate

C14H22ClNO3Si — CID 167715726

IUPACmethyl 3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)cc(N)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H22ClNO3Si/c1-14(2,3)20(5,6)19-12-10(13(17)18-4)7-9(15)8-11(12)16/h7-8H,16H2,1-6H3
InChIKeyACICBZGQJJRBPK-UHFFFAOYSA-N
MW315.87 g/mol
LogP4.09
Rot. Bonds3

About methyl 3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzoate

methyl 3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzoate (PubChem CID 167715726) has the molecular formula C14H22ClNO3Si and a molecular weight of 315.87 g/mol. Its IUPAC name is methyl 3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzoate.

Molecular Properties

Compound Namemethyl 3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzoate
PubChem CID167715726
Molecular FormulaC14H22ClNO3Si
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC Namemethyl 3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)cc(N)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H22ClNO3Si/c1-14(2,3)20(5,6)19-12-10(13(17)18-4)7-9(15)8-11(12)16/h7-8H,16H2,1-6H3
InChIKeyACICBZGQJJRBPK-UHFFFAOYSA-N
XLogP4.09
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbenzoate
CID 167729628
methyl 3-amino-5-chloro-2-(trifluoromethyl)benzoate
CID 131513499
methyl 5-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-iodobenzoate
CID 167727351
methyl 3-amino-5-chloro-2-ethylbenzoate
CID 86672668
methyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 167729068
dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-6,7-dicarboxylate
CID 10618775
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate
CID 167730897
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate
CID 91737509
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate
CID 18464864
methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate
CID 2818076
methyl 3-bromo-2,5-dichlorobenzoate
CID 57362641
methyl 2,5-dichloro-3-chlorosulfonylbenzoate
CID 43436756

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzoate?
The IUPAC name of methyl 3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzoate (CID 167715726) is methyl 3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzoate.
What is the SMILES notation for methyl 3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzoate?
The canonical SMILES for methyl 3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzoate is COC(=O)c1cc(Cl)cc(N)c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzoate?
The InChIKey is ACICBZGQJJRBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO3Si/c1-14(2,3)20(5,6)19-12-10(13(17)18-4)7-9(15)8-11(12)16/h7-8H,16H2,1-6H3.
What are the key properties of methyl 3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzoate?
methyl 3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzoate has a molecular weight of 315.87 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzoate is sourced from PubChem (CID 167715726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).