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

Name: Tert-butyl 2-(2-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]propanoate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₂₇NO₃ — CID 172753004

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Tert-butyl 2-(2-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]propanoate
PubChem CID	172753004
Molecular Formula	C₁₇H₂₇NO₃
Molecular Weight	293.41 g/mol
Exact Mass	293.20
IUPAC Name	tert-butyl 2-(2-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]propanoate
SMILES	CC(C)(C)OC(=O)C(C)(OC(C)(C)C)c1ccccc1N
InChI	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
InChIKey	KQDPTJNTZZKBFX-UHFFFAOYSA-N
XLogP	3.64
TPSA	61.55 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.41
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

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).

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Sources

PubChem CID 172753004 — identifiers, structure, computed properties (public domain)

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