(16Z)-2-azatricyclo[16.3.1.14,7]tricosa-1(21),16,18(22),19-tetraene-6-carboxylic acid

C23H33NO2 — CID 141211435

IUPAC(16Z)-2-azatricyclo[16.3.1.14,7]tricosa-1(21),16,18(22),19-tetraene-6-carboxylic acid
SMILESO=C(O)C1CC2CNc3cccc(c3)/C=C\CCCCCCCCC1C2
InChIInChI=1S/C23H33NO2/c25-23(26)22-16-19-14-20(22)12-8-6-4-2-1-3-5-7-10-18-11-9-13-21(15-18)24-17-19/h7,9-11,13,15,19-20,22,24H,1-6,8,12,14,16-17H2,(H,25,26)/b10-7-
InChIKeyVLJSNZGSAAKGCQ-YFHOEESVSA-N
MW355.52 g/mol
LogP5.97
Rot. Bonds1

About (16Z)-2-azatricyclo[16.3.1.14,7]tricosa-1(21),16,18(22),19-tetraene-6-carboxylic acid

(16Z)-2-azatricyclo[16.3.1.14,7]tricosa-1(21),16,18(22),19-tetraene-6-carboxylic acid (PubChem CID 141211435) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is (16Z)-2-azatricyclo[16.3.1.14,7]tricosa-1(21),16,18(22),19-tetraene-6-carboxylic acid.

Molecular Properties

Compound Name(16Z)-2-azatricyclo[16.3.1.14,7]tricosa-1(21),16,18(22),19-tetraene-6-carboxylic acid
PubChem CID141211435
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC Name(16Z)-2-azatricyclo[16.3.1.14,7]tricosa-1(21),16,18(22),19-tetraene-6-carboxylic acid
SMILESO=C(O)C1CC2CNc3cccc(c3)/C=C\CCCCCCCCC1C2
InChIInChI=1S/C23H33NO2/c25-23(26)22-16-19-14-20(22)12-8-6-4-2-1-3-5-7-10-18-11-9-13-21(15-18)24-17-19/h7,9-11,13,15,19-20,22,24H,1-6,8,12,14,16-17H2,(H,25,26)/b10-7-
InChIKeyVLJSNZGSAAKGCQ-YFHOEESVSA-N
XLogP5.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.52
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (16Z)-2-azatricyclo[16.3.1.14,7]tricosa-1(21),16,18(22),19-tetraene-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (16Z)-2-azatricyclo[16.3.1.14,7]tricosa-1(21),16,18(22),19-tetraene-6-carboxylic acid?
The IUPAC name of (16Z)-2-azatricyclo[16.3.1.14,7]tricosa-1(21),16,18(22),19-tetraene-6-carboxylic acid (CID 141211435) is (16Z)-2-azatricyclo[16.3.1.14,7]tricosa-1(21),16,18(22),19-tetraene-6-carboxylic acid.
What is the SMILES notation for (16Z)-2-azatricyclo[16.3.1.14,7]tricosa-1(21),16,18(22),19-tetraene-6-carboxylic acid?
The canonical SMILES for (16Z)-2-azatricyclo[16.3.1.14,7]tricosa-1(21),16,18(22),19-tetraene-6-carboxylic acid is O=C(O)C1CC2CNc3cccc(c3)/C=C\CCCCCCCCC1C2.
What is the InChIKey of (16Z)-2-azatricyclo[16.3.1.14,7]tricosa-1(21),16,18(22),19-tetraene-6-carboxylic acid?
The InChIKey is VLJSNZGSAAKGCQ-YFHOEESVSA-N. The full InChI is InChI=1S/C23H33NO2/c25-23(26)22-16-19-14-20(22)12-8-6-4-2-1-3-5-7-10-18-11-9-13-21(15-18)24-17-19/h7,9-11,13,15,19-20,22,24H,1-6,8,12,14,16-17H2,(H,25,26)/b10-7-.
What are the key properties of (16Z)-2-azatricyclo[16.3.1.14,7]tricosa-1(21),16,18(22),19-tetraene-6-carboxylic acid?
(16Z)-2-azatricyclo[16.3.1.14,7]tricosa-1(21),16,18(22),19-tetraene-6-carboxylic acid has a molecular weight of 355.52 g/mol, XLogP of 5.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (16Z)-2-azatricyclo[16.3.1.14,7]tricosa-1(21),16,18(22),19-tetraene-6-carboxylic acid is sourced from PubChem (CID 141211435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).