4-(2,11-dioxo-azacycloundec-1-yl)-2-hydroxybenzoic acid

C17H21NO5 — CID 150167902

IUPAC4-(2,11-dioxo-azacycloundec-1-yl)-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(N2C(=O)CCCCCCCCC2=O)cc1O
InChIInChI=1S/C17H21NO5/c19-14-11-12(9-10-13(14)17(22)23)18-15(20)7-5-3-1-2-4-6-8-16(18)21/h9-11,19H,1-8H2,(H,22,23)
InChIKeyFIUFTIJGYCIGLF-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.08
Rot. Bonds2

About 4-(2,11-dioxo-azacycloundec-1-yl)-2-hydroxybenzoic acid

4-(2,11-dioxo-azacycloundec-1-yl)-2-hydroxybenzoic acid (PubChem CID 150167902) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-(2,11-dioxo-azacycloundec-1-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(2,11-dioxo-azacycloundec-1-yl)-2-hydroxybenzoic acid
PubChem CID150167902
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name4-(2,11-dioxo-azacycloundec-1-yl)-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(N2C(=O)CCCCCCCCC2=O)cc1O
InChIInChI=1S/C17H21NO5/c19-14-11-12(9-10-13(14)17(22)23)18-15(20)7-5-3-1-2-4-6-8-16(18)21/h9-11,19H,1-8H2,(H,22,23)
InChIKeyFIUFTIJGYCIGLF-UHFFFAOYSA-N
XLogP3.08
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,11-dioxo-azacycloundec-1-yl)-2-hydroxybenzoic acid?
The IUPAC name of 4-(2,11-dioxo-azacycloundec-1-yl)-2-hydroxybenzoic acid (CID 150167902) is 4-(2,11-dioxo-azacycloundec-1-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(2,11-dioxo-azacycloundec-1-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(2,11-dioxo-azacycloundec-1-yl)-2-hydroxybenzoic acid is O=C(O)c1ccc(N2C(=O)CCCCCCCCC2=O)cc1O.
What is the InChIKey of 4-(2,11-dioxo-azacycloundec-1-yl)-2-hydroxybenzoic acid?
The InChIKey is FIUFTIJGYCIGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c19-14-11-12(9-10-13(14)17(22)23)18-15(20)7-5-3-1-2-4-6-8-16(18)21/h9-11,19H,1-8H2,(H,22,23).
What are the key properties of 4-(2,11-dioxo-azacycloundec-1-yl)-2-hydroxybenzoic acid?
4-(2,11-dioxo-azacycloundec-1-yl)-2-hydroxybenzoic acid has a molecular weight of 319.36 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,11-dioxo-azacycloundec-1-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 150167902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).