3-amino-4-(cyclooctylamino)benzoic acid

C15H22N2O2 — CID 54887805

IUPAC3-amino-4-(cyclooctylamino)benzoic acid
SMILESNc1cc(C(=O)O)ccc1NC1CCCCCCC1
InChIInChI=1S/C15H22N2O2/c16-13-10-11(15(18)19)8-9-14(13)17-12-6-4-2-1-3-5-7-12/h8-10,12,17H,1-7,16H2,(H,18,19)
InChIKeyALGBLSZINHPQSW-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.49
Rot. Bonds3

About 3-amino-4-(cyclooctylamino)benzoic acid

3-amino-4-(cyclooctylamino)benzoic acid (PubChem CID 54887805) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-amino-4-(cyclooctylamino)benzoic acid.

Molecular Properties

Compound Name3-amino-4-(cyclooctylamino)benzoic acid
PubChem CID54887805
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-amino-4-(cyclooctylamino)benzoic acid
SMILESNc1cc(C(=O)O)ccc1NC1CCCCCCC1
InChIInChI=1S/C15H22N2O2/c16-13-10-11(15(18)19)8-9-14(13)17-12-6-4-2-1-3-5-7-12/h8-10,12,17H,1-7,16H2,(H,18,19)
InChIKeyALGBLSZINHPQSW-UHFFFAOYSA-N
XLogP3.49
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-(cyclooctylamino)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-[(4-methylcycloheptyl)amino]benzoic acid
CID 114101708
3-amino-4-[(1-methylpiperidin-4-yl)amino]benzoic acid
CID 54887632
propan-2-yl 3-amino-4-(cyclohexylamino)benzoate
CID 100620581
3-amino-4-(2-cyclohexylethylamino)benzoic acid
CID 54887730
3-amino-4-[(3,3-dimethylcyclopentyl)amino]benzoic acid
CID 114550836
ethyl 3-amino-4-(cyclopentylamino)benzoate;ethyl 3-amino-4-(cyclopropylamino)benzoate
CID 160671023
3-amino-4-(cyclohexylsulfonylamino)benzoic acid
CID 63117178
3-amino-4-(2-cyclopentyloxyethylamino)benzoic acid
CID 63834095
5-amino-6-(cyclooctylamino)pyridine-3-carboxylic acid
CID 81438891
3-amino-4-(oxan-2-ylmethylamino)benzoic acid
CID 55013425
4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid
CID 99977473
3-amino-N-methyl-4-[(1-methylpiperidin-3-yl)amino]benzamide
CID 82988709

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(cyclooctylamino)benzoic acid?
The IUPAC name of 3-amino-4-(cyclooctylamino)benzoic acid (CID 54887805) is 3-amino-4-(cyclooctylamino)benzoic acid.
What is the SMILES notation for 3-amino-4-(cyclooctylamino)benzoic acid?
The canonical SMILES for 3-amino-4-(cyclooctylamino)benzoic acid is Nc1cc(C(=O)O)ccc1NC1CCCCCCC1.
What is the InChIKey of 3-amino-4-(cyclooctylamino)benzoic acid?
The InChIKey is ALGBLSZINHPQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-13-10-11(15(18)19)8-9-14(13)17-12-6-4-2-1-3-5-7-12/h8-10,12,17H,1-7,16H2,(H,18,19).
What are the key properties of 3-amino-4-(cyclooctylamino)benzoic acid?
3-amino-4-(cyclooctylamino)benzoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(cyclooctylamino)benzoic acid is sourced from PubChem (CID 54887805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).