5-amino-2-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid

C11H11F3N2O2 — CID 106219376

IUPAC5-amino-2-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid
SMILESNc1ccc(NC2(C(F)(F)F)CC2)c(C(=O)O)c1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)10(3-4-10)16-8-2-1-6(15)5-7(8)9(17)18/h1-2,5,16H,3-4,15H2,(H,17,18)
InChIKeyWSETZWXUMWFTKF-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.47
Rot. Bonds3

About 5-amino-2-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid

5-amino-2-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid (PubChem CID 106219376) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 5-amino-2-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid
PubChem CID106219376
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name5-amino-2-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid
SMILESNc1ccc(NC2(C(F)(F)F)CC2)c(C(=O)O)c1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)10(3-4-10)16-8-2-1-6(15)5-7(8)9(17)18/h1-2,5,16H,3-4,15H2,(H,17,18)
InChIKeyWSETZWXUMWFTKF-UHFFFAOYSA-N
XLogP2.47
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid
CID 106214821
4-[[1-(trifluoromethyl)cyclopropyl]amino]naphthalene-1-carboxylic acid
CID 106216793
4-amino-2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid
CID 106208573
5-amino-2-(methylamino)benzoic acid
CID 19006283
2-fluoro-5-nitro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid
CID 106213880
5-amino-2-(5,5,5-trifluoropentylamino)benzoic acid
CID 115521856
5-amino-2-(sulfamoylamino)benzoic acid
CID 114958710
6-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-3-carboxamide
CID 114159265
5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-2-carboxylic acid
CID 106213918
5-amino-2-(cyclobutylmethylamino)benzoic acid
CID 60989727
5-amino-2-(cycloheptanecarbonylamino)benzoic acid
CID 63116326
3-fluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzenesulfonamide
CID 106214896

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid?
The IUPAC name of 5-amino-2-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid (CID 106219376) is 5-amino-2-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid.
What is the SMILES notation for 5-amino-2-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid?
The canonical SMILES for 5-amino-2-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid is Nc1ccc(NC2(C(F)(F)F)CC2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid?
The InChIKey is WSETZWXUMWFTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)10(3-4-10)16-8-2-1-6(15)5-7(8)9(17)18/h1-2,5,16H,3-4,15H2,(H,17,18).
What are the key properties of 5-amino-2-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid?
5-amino-2-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid has a molecular weight of 260.21 g/mol, XLogP of 2.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid is sourced from PubChem (CID 106219376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).