2-amino-5-tert-butylbenzoic acid

C11H15NO2 — CID 13222182

IUPAC2-amino-5-tert-butylbenzoic acid
SMILESCC(C)(C)c1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C11H15NO2/c1-11(2,3)7-4-5-9(12)8(6-7)10(13)14/h4-6H,12H2,1-3H3,(H,13,14)
InChIKeyULCQYHAVDRBIAG-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.26
Rot. Bonds1

About 2-amino-5-tert-butylbenzoic acid

2-amino-5-tert-butylbenzoic acid (PubChem CID 13222182) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-amino-5-tert-butylbenzoic acid.

Molecular Properties

Compound Name2-amino-5-tert-butylbenzoic acid
PubChem CID13222182
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-amino-5-tert-butylbenzoic acid
SMILESCC(C)(C)c1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C11H15NO2/c1-11(2,3)7-4-5-9(12)8(6-7)10(13)14/h4-6H,12H2,1-3H3,(H,13,14)
InChIKeyULCQYHAVDRBIAG-UHFFFAOYSA-N
XLogP2.26
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-tert-butylbenzoic acid?
The IUPAC name of 2-amino-5-tert-butylbenzoic acid (CID 13222182) is 2-amino-5-tert-butylbenzoic acid.
What is the SMILES notation for 2-amino-5-tert-butylbenzoic acid?
The canonical SMILES for 2-amino-5-tert-butylbenzoic acid is CC(C)(C)c1ccc(N)c(C(=O)O)c1.
What is the InChIKey of 2-amino-5-tert-butylbenzoic acid?
The InChIKey is ULCQYHAVDRBIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2,3)7-4-5-9(12)8(6-7)10(13)14/h4-6H,12H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-5-tert-butylbenzoic acid?
2-amino-5-tert-butylbenzoic acid has a molecular weight of 193.25 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-tert-butylbenzoic acid is sourced from PubChem (CID 13222182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).