4-amino-2-(cyclooctanecarbonylamino)benzoic acid

C16H22N2O3 — CID 65019508

IUPAC4-amino-2-(cyclooctanecarbonylamino)benzoic acid
SMILESNc1ccc(C(=O)O)c(NC(=O)C2CCCCCCC2)c1
InChIInChI=1S/C16H22N2O3/c17-12-8-9-13(16(20)21)14(10-12)18-15(19)11-6-4-2-1-3-5-7-11/h8-11H,1-7,17H2,(H,18,19)(H,20,21)
InChIKeyMZJAQHAKVCASOJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.27
Rot. Bonds3

About 4-amino-2-(cyclooctanecarbonylamino)benzoic acid

4-amino-2-(cyclooctanecarbonylamino)benzoic acid (PubChem CID 65019508) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-amino-2-(cyclooctanecarbonylamino)benzoic acid.

Molecular Properties

Compound Name4-amino-2-(cyclooctanecarbonylamino)benzoic acid
PubChem CID65019508
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-amino-2-(cyclooctanecarbonylamino)benzoic acid
SMILESNc1ccc(C(=O)O)c(NC(=O)C2CCCCCCC2)c1
InChIInChI=1S/C16H22N2O3/c17-12-8-9-13(16(20)21)14(10-12)18-15(19)11-6-4-2-1-3-5-7-11/h8-11H,1-7,17H2,(H,18,19)(H,20,21)
InChIKeyMZJAQHAKVCASOJ-UHFFFAOYSA-N
XLogP3.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-2-(cyclooctanecarbonylamino)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

5-amino-2-(cycloheptanecarbonylamino)benzoic acid
CID 63116326
2-(cycloheptanecarbonylamino)-4-fluorobenzoic acid
CID 62585770
N-(4-amino-2-hydroxyphenyl)cyclohexanecarboxamide
CID 53338609
4-amino-2-(cyclohexylcarbamoylamino)benzoic acid
CID 63116079
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
N-(4-amino-2-bromophenyl)cyclohexanecarboxamide
CID 1133414
N-(4-amino-2-methylphenyl)cycloheptanecarboxamide
CID 55091677
2-(cyclopentanecarbonylamino)-4-nitrobenzoic acid
CID 63110863
N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide
CID 16773964
4-amino-2-(3-cyclopentylpropanoylamino)benzoic acid
CID 63116323
N-(4-amino-2-cyanophenyl)cyclohexanecarboxamide
CID 43548995
5-bromo-2-(cycloheptanecarbonylamino)benzoic acid
CID 63405295

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclooctanecarbonylamino)benzoic acid?
The IUPAC name of 4-amino-2-(cyclooctanecarbonylamino)benzoic acid (CID 65019508) is 4-amino-2-(cyclooctanecarbonylamino)benzoic acid.
What is the SMILES notation for 4-amino-2-(cyclooctanecarbonylamino)benzoic acid?
The canonical SMILES for 4-amino-2-(cyclooctanecarbonylamino)benzoic acid is Nc1ccc(C(=O)O)c(NC(=O)C2CCCCCCC2)c1.
What is the InChIKey of 4-amino-2-(cyclooctanecarbonylamino)benzoic acid?
The InChIKey is MZJAQHAKVCASOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-12-8-9-13(16(20)21)14(10-12)18-15(19)11-6-4-2-1-3-5-7-11/h8-11H,1-7,17H2,(H,18,19)(H,20,21).
What are the key properties of 4-amino-2-(cyclooctanecarbonylamino)benzoic acid?
4-amino-2-(cyclooctanecarbonylamino)benzoic acid has a molecular weight of 290.36 g/mol, XLogP of 3.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclooctanecarbonylamino)benzoic acid is sourced from PubChem (CID 65019508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).