3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoic acid

C14H19NO2 — CID 102823152

IUPAC3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoic acid
SMILESCC1(C)C(Nc2cccc(C(=O)O)c2)C1(C)C
InChIInChI=1S/C14H19NO2/c1-13(2)12(14(13,3)4)15-10-7-5-6-9(8-10)11(16)17/h5-8,12,15H,1-4H3,(H,16,17)
InChIKeyURYXOZBORYVEHD-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.23
Rot. Bonds3

About 3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoic acid

3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoic acid (PubChem CID 102823152) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoic acid
PubChem CID102823152
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoic acid
SMILESCC1(C)C(Nc2cccc(C(=O)O)c2)C1(C)C
InChIInChI=1S/C14H19NO2/c1-13(2)12(14(13,3)4)15-10-7-5-6-9(8-10)11(16)17/h5-8,12,15H,1-4H3,(H,16,17)
InChIKeyURYXOZBORYVEHD-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methylamino)benzoic acid;hydrochloride
CID 55250935
ethane;3-hydrazinylbenzoic acid
CID 142968377
1-(3-acetylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)urea
CID 79357454
3-(thian-4-ylamino)benzoic acid
CID 43511387
3-[[3-(4-methylphenyl)cyclobutyl]amino]benzoic acid
CID 43635181
3-[2-[(2,2,3,3-tetramethylcyclopropyl)amino]ethoxy]benzoic acid
CID 103256699
3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzoic acid
CID 3236330
3-[(3-methoxy-3-methylbutan-2-yl)amino]benzoic acid
CID 175811829
3-(but-3-yn-2-ylamino)benzoic acid
CID 102823454
3-[(3-hydroperoxy-5-methylcyclohexyl)amino]benzoic acid
CID 166705821
3-[(1-phenylpiperidin-4-yl)amino]benzoic acid
CID 164589789
3-(trifluoromethylamino)benzoic acid;hydrofluoride
CID 70504722

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoic acid?
The IUPAC name of 3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoic acid (CID 102823152) is 3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoic acid.
What is the SMILES notation for 3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoic acid?
The canonical SMILES for 3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoic acid is CC1(C)C(Nc2cccc(C(=O)O)c2)C1(C)C.
What is the InChIKey of 3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoic acid?
The InChIKey is URYXOZBORYVEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-13(2)12(14(13,3)4)15-10-7-5-6-9(8-10)11(16)17/h5-8,12,15H,1-4H3,(H,16,17).
What are the key properties of 3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoic acid?
3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoic acid has a molecular weight of 233.31 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoic acid is sourced from PubChem (CID 102823152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).