8-[(2-aminobenzoyl)amino]octanoic acid

C15H22N2O3 — CID 10660234

IUPAC8-[(2-aminobenzoyl)amino]octanoic acid
SMILESNc1ccccc1C(=O)NCCCCCCCC(=O)O
InChIInChI=1S/C15H22N2O3/c16-13-9-6-5-8-12(13)15(20)17-11-7-3-1-2-4-10-14(18)19/h5-6,8-9H,1-4,7,10-11,16H2,(H,17,20)(H,18,19)
InChIKeyNAEZZOAQOMCWKU-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.42
Rot. Bonds9

About 8-[(2-aminobenzoyl)amino]octanoic acid

8-[(2-aminobenzoyl)amino]octanoic acid (PubChem CID 10660234) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 8-[(2-aminobenzoyl)amino]octanoic acid.

Molecular Properties

Compound Name8-[(2-aminobenzoyl)amino]octanoic acid
PubChem CID10660234
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name8-[(2-aminobenzoyl)amino]octanoic acid
SMILESNc1ccccc1C(=O)NCCCCCCCC(=O)O
InChIInChI=1S/C15H22N2O3/c16-13-9-6-5-8-12(13)15(20)17-11-7-3-1-2-4-10-14(18)19/h5-6,8-9H,1-4,7,10-11,16H2,(H,17,20)(H,18,19)
InChIKeyNAEZZOAQOMCWKU-UHFFFAOYSA-N
XLogP2.42
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-aminobenzoyl)amino]octanoic acid?
The IUPAC name of 8-[(2-aminobenzoyl)amino]octanoic acid (CID 10660234) is 8-[(2-aminobenzoyl)amino]octanoic acid.
What is the SMILES notation for 8-[(2-aminobenzoyl)amino]octanoic acid?
The canonical SMILES for 8-[(2-aminobenzoyl)amino]octanoic acid is Nc1ccccc1C(=O)NCCCCCCCC(=O)O.
What is the InChIKey of 8-[(2-aminobenzoyl)amino]octanoic acid?
The InChIKey is NAEZZOAQOMCWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-13-9-6-5-8-12(13)15(20)17-11-7-3-1-2-4-10-14(18)19/h5-6,8-9H,1-4,7,10-11,16H2,(H,17,20)(H,18,19).
What are the key properties of 8-[(2-aminobenzoyl)amino]octanoic acid?
8-[(2-aminobenzoyl)amino]octanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.42, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-aminobenzoyl)amino]octanoic acid is sourced from PubChem (CID 10660234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).