tert-butyl 2-(2-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]propanoate

C17H27NO3 — CID 172753004

IUPACtert-butyl 2-(2-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCC(C)(C)OC(=O)C(C)(OC(C)(C)C)c1ccccc1N
InChIInChI=1S/C17H27NO3/c1-15(2,3)20-14(19)17(7,21-16(4,5)6)12-10-8-9-11-13(12)18/h8-11H,18H2,1-7H3
InChIKeyKQDPTJNTZZKBFX-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.64
Rot. Bonds3

About tert-butyl 2-(2-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]propanoate

tert-butyl 2-(2-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]propanoate (PubChem CID 172753004) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is tert-butyl 2-(2-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]propanoate.

Molecular Properties

Compound Nametert-butyl 2-(2-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]propanoate
PubChem CID172753004
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nametert-butyl 2-(2-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCC(C)(C)OC(=O)C(C)(OC(C)(C)C)c1ccccc1N
InChIInChI=1S/C17H27NO3/c1-15(2,3)20-14(19)17(7,21-16(4,5)6)12-10-8-9-11-13(12)18/h8-11H,18H2,1-7H3
InChIKeyKQDPTJNTZZKBFX-UHFFFAOYSA-N
XLogP3.64
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]propanoate?
The IUPAC name of tert-butyl 2-(2-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]propanoate (CID 172753004) is tert-butyl 2-(2-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]propanoate.
What is the SMILES notation for tert-butyl 2-(2-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]propanoate?
The canonical SMILES for tert-butyl 2-(2-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]propanoate is CC(C)(C)OC(=O)C(C)(OC(C)(C)C)c1ccccc1N.
What is the InChIKey of tert-butyl 2-(2-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]propanoate?
The InChIKey is KQDPTJNTZZKBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-15(2,3)20-14(19)17(7,21-16(4,5)6)12-10-8-9-11-13(12)18/h8-11H,18H2,1-7H3.
What are the key properties of tert-butyl 2-(2-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]propanoate?
tert-butyl 2-(2-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]propanoate has a molecular weight of 293.41 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]propanoate is sourced from PubChem (CID 172753004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).