2-(9-methoxy-6-oxo-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraen-5-yl)acetic acid

C14H13NO4 — CID 166682270

IUPAC2-(9-methoxy-6-oxo-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraen-5-yl)acetic acid
SMILESCOc1ccc2c3c(c(CC(=O)O)c(=O)[nH]c13)CC2
InChIInChI=1S/C14H13NO4/c1-19-10-5-3-7-2-4-8-9(6-11(16)17)14(18)15-13(10)12(7)8/h3,5H,2,4,6H2,1H3,(H,15,18)(H,16,17)
InChIKeyAJOLJLSCFQQBJJ-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.26
Rot. Bonds3

About 2-(9-methoxy-6-oxo-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraen-5-yl)acetic acid

2-(9-methoxy-6-oxo-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraen-5-yl)acetic acid (PubChem CID 166682270) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-(9-methoxy-6-oxo-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraen-5-yl)acetic acid.

Molecular Properties

Compound Name2-(9-methoxy-6-oxo-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraen-5-yl)acetic acid
PubChem CID166682270
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name2-(9-methoxy-6-oxo-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraen-5-yl)acetic acid
SMILESCOc1ccc2c3c(c(CC(=O)O)c(=O)[nH]c13)CC2
InChIInChI=1S/C14H13NO4/c1-19-10-5-3-7-2-4-8-9(6-11(16)17)14(18)15-13(10)12(7)8/h3,5H,2,4,6H2,1H3,(H,15,18)(H,16,17)
InChIKeyAJOLJLSCFQQBJJ-UHFFFAOYSA-N
XLogP1.26
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(9-methoxy-6-oxo-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraen-5-yl)acetic acid?
The IUPAC name of 2-(9-methoxy-6-oxo-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraen-5-yl)acetic acid (CID 166682270) is 2-(9-methoxy-6-oxo-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraen-5-yl)acetic acid.
What is the SMILES notation for 2-(9-methoxy-6-oxo-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraen-5-yl)acetic acid?
The canonical SMILES for 2-(9-methoxy-6-oxo-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraen-5-yl)acetic acid is COc1ccc2c3c(c(CC(=O)O)c(=O)[nH]c13)CC2.
What is the InChIKey of 2-(9-methoxy-6-oxo-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraen-5-yl)acetic acid?
The InChIKey is AJOLJLSCFQQBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-19-10-5-3-7-2-4-8-9(6-11(16)17)14(18)15-13(10)12(7)8/h3,5H,2,4,6H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-(9-methoxy-6-oxo-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraen-5-yl)acetic acid?
2-(9-methoxy-6-oxo-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraen-5-yl)acetic acid has a molecular weight of 259.26 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methoxy-6-oxo-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraen-5-yl)acetic acid is sourced from PubChem (CID 166682270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).