2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

C18H21NO2 — CID 2757337

IUPAC2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCC(C)(C)C1CCc2nc3ccccc3c(C(=O)O)c2C1
InChIInChI=1S/C18H21NO2/c1-18(2,3)11-8-9-15-13(10-11)16(17(20)21)12-6-4-5-7-14(12)19-15/h4-7,11H,8-10H2,1-3H3,(H,20,21)
InChIKeyOLFUQJZKMJBHMQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.08
Rot. Bonds1

About 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (PubChem CID 2757337) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
PubChem CID2757337
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCC(C)(C)C1CCc2nc3ccccc3c(C(=O)O)c2C1
InChIInChI=1S/C18H21NO2/c1-18(2,3)11-8-9-15-13(10-11)16(17(20)21)12-6-4-5-7-14(12)19-15/h4-7,11H,8-10H2,1-3H3,(H,20,21)
InChIKeyOLFUQJZKMJBHMQ-UHFFFAOYSA-N
XLogP4.08
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The IUPAC name of 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (CID 2757337) is 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The canonical SMILES for 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is CC(C)(C)C1CCc2nc3ccccc3c(C(=O)O)c2C1.
What is the InChIKey of 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The InChIKey is OLFUQJZKMJBHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2,3)11-8-9-15-13(10-11)16(17(20)21)12-6-4-5-7-14(12)19-15/h4-7,11H,8-10H2,1-3H3,(H,20,21).
What are the key properties of 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is sourced from PubChem (CID 2757337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).