2-[3-amino-4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetic acid

C14H23NO3Si — CID 167715814

IUPAC2-[3-amino-4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CC(=O)O)cc1N
InChIInChI=1S/C14H23NO3Si/c1-14(2,3)19(4,5)18-12-7-6-10(8-11(12)15)9-13(16)17/h6-8H,9,15H2,1-5H3,(H,16,17)
InChIKeyHTOGKOOXLPZYEA-UHFFFAOYSA-N
MW281.43 g/mol
LogP3.28
Rot. Bonds4

About 2-[3-amino-4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetic acid

2-[3-amino-4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetic acid (PubChem CID 167715814) has the molecular formula C14H23NO3Si and a molecular weight of 281.43 g/mol. Its IUPAC name is 2-[3-amino-4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-amino-4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetic acid
PubChem CID167715814
Molecular FormulaC14H23NO3Si
Molecular Weight281.43 g/mol
Exact Mass281.14
IUPAC Name2-[3-amino-4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CC(=O)O)cc1N
InChIInChI=1S/C14H23NO3Si/c1-14(2,3)19(4,5)18-12-7-6-10(8-11(12)15)9-13(16)17/h6-8H,9,15H2,1-5H3,(H,16,17)
InChIKeyHTOGKOOXLPZYEA-UHFFFAOYSA-N
XLogP3.28
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]propanoic acid
CID 11015109
4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid
CID 167716868
5-[3-amino-4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 174983891
[[2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetyl]amino] 2,2-dimethylpropanoate
CID 171419580
3-[2-[tert-butyl(dimethyl)silyl]oxy-5-iodophenyl]propanoic acid
CID 19375763
methyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-nitrophenyl]acetate
CID 139995151
[4-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate
CID 174567149
2-(3-amino-4-propylphenyl)acetic acid
CID 68878432
2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetic acid
CID 90282017
2-[tert-butyl(dimethyl)silyl]oxy-5-thiophen-2-ylaniline
CID 59736823
5-ethyl-2-trimethylsilyloxyaniline
CID 167734145
1-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-bromoethanone
CID 142730774

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetic acid?
The IUPAC name of 2-[3-amino-4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetic acid (CID 167715814) is 2-[3-amino-4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-amino-4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetic acid?
The canonical SMILES for 2-[3-amino-4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetic acid is CC(C)(C)[Si](C)(C)Oc1ccc(CC(=O)O)cc1N.
What is the InChIKey of 2-[3-amino-4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetic acid?
The InChIKey is HTOGKOOXLPZYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3Si/c1-14(2,3)19(4,5)18-12-7-6-10(8-11(12)15)9-13(16)17/h6-8H,9,15H2,1-5H3,(H,16,17).
What are the key properties of 2-[3-amino-4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetic acid?
2-[3-amino-4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetic acid has a molecular weight of 281.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetic acid is sourced from PubChem (CID 167715814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).