2-amino-5-(cyclooctylamino)benzoic acid

C15H22N2O2 — CID 60989029

IUPAC2-amino-5-(cyclooctylamino)benzoic acid
SMILESNc1ccc(NC2CCCCCCC2)cc1C(=O)O
InChIInChI=1S/C15H22N2O2/c16-14-9-8-12(10-13(14)15(18)19)17-11-6-4-2-1-3-5-7-11/h8-11,17H,1-7,16H2,(H,18,19)
InChIKeyAYPOQLLBJLITTP-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.49
Rot. Bonds3

About 2-amino-5-(cyclooctylamino)benzoic acid

2-amino-5-(cyclooctylamino)benzoic acid (PubChem CID 60989029) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-amino-5-(cyclooctylamino)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(cyclooctylamino)benzoic acid
PubChem CID60989029
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-amino-5-(cyclooctylamino)benzoic acid
SMILESNc1ccc(NC2CCCCCCC2)cc1C(=O)O
InChIInChI=1S/C15H22N2O2/c16-14-9-8-12(10-13(14)15(18)19)17-11-6-4-2-1-3-5-7-11/h8-11,17H,1-7,16H2,(H,18,19)
InChIKeyAYPOQLLBJLITTP-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'}

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Related Compounds

methyl 2-amino-5-(cycloheptylamino)benzoate
CID 61305877
2-chloro-5-(cyclohexylamino)benzoic acid
CID 43736277
5-(cyclohexylamino)-2-methylbenzoic acid
CID 82932718
4-N-cyclohexyl-2-methylbenzene-1,4-diamine
CID 43436188
4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid
CID 62711963
4-N-cyclopentyl-2-methylbenzene-1,4-diamine
CID 43436194
methyl 2-amino-5-(cyclopropylamino)benzoate
CID 61311715
4-(cycloheptylamino)-2-methoxybenzoic acid
CID 107209609
2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoic acid
CID 62317637
2-amino-5-[(4-methylcycloheptyl)amino]benzamide
CID 114101707
2-amino-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid
CID 79872672
2-amino-5-[(5-oxopyrrolidin-3-yl)amino]benzoic acid
CID 106197594

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(cyclooctylamino)benzoic acid?
The IUPAC name of 2-amino-5-(cyclooctylamino)benzoic acid (CID 60989029) is 2-amino-5-(cyclooctylamino)benzoic acid.
What is the SMILES notation for 2-amino-5-(cyclooctylamino)benzoic acid?
The canonical SMILES for 2-amino-5-(cyclooctylamino)benzoic acid is Nc1ccc(NC2CCCCCCC2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-(cyclooctylamino)benzoic acid?
The InChIKey is AYPOQLLBJLITTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-14-9-8-12(10-13(14)15(18)19)17-11-6-4-2-1-3-5-7-11/h8-11,17H,1-7,16H2,(H,18,19).
What are the key properties of 2-amino-5-(cyclooctylamino)benzoic acid?
2-amino-5-(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 2-amino-5-(cyclooctylamino)benzoic acid is sourced from PubChem (CID 60989029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).