4-oxo-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butanoic acid

C15H16N2O3 — CID 39732411

IUPAC4-oxo-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butanoic acid
SMILESO=C(O)CCC(=O)N1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C15H16N2O3/c18-14(5-6-15(19)20)17-8-7-13-11(9-17)10-3-1-2-4-12(10)16-13/h1-4,16H,5-9H2,(H,19,20)
InChIKeyQVZDBBGXELZGGO-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.92
Rot. Bonds3

About 4-oxo-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butanoic acid

4-oxo-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butanoic acid (PubChem CID 39732411) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-oxo-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butanoic acid
PubChem CID39732411
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-oxo-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butanoic acid
SMILESO=C(O)CCC(=O)N1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C15H16N2O3/c18-14(5-6-15(19)20)17-8-7-13-11(9-17)10-3-1-2-4-12(10)16-13/h1-4,16H,5-9H2,(H,19,20)
InChIKeyQVZDBBGXELZGGO-UHFFFAOYSA-N
XLogP1.92
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

Luzindole
CID 122162
Carbazole Butanoic Acid
CID 448769
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexane-1-carboxamide
CID 25142173
ethyl 8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate
CID 2937007
N-pentanoyl-2-benzyltryptamine
CID 3467177
2-acetyl-8-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 709639
N-(2,3,4,9-Tetrahydro-1H-carbazol-3-YL)acetamide
CID 12361788
2-Acetyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
CID 3153600
1-(3,4-Dihydro-1H-pyrido[4,3-B]indol-2(5H)-YL)ethanone
CID 648697
1-(3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)-2,2,2-trifluoroethanone
CID 933436
2-(2-Phenyl-1H-indol-3-yl)-1-piperidin-1-yl-ethanone
CID 10381218
4-Indol-1-yl-4-oxo-butyric acid
CID 11148652

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butanoic acid?
The IUPAC name of 4-oxo-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butanoic acid (CID 39732411) is 4-oxo-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butanoic acid.
What is the SMILES notation for 4-oxo-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butanoic acid?
The canonical SMILES for 4-oxo-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butanoic acid is O=C(O)CCC(=O)N1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of 4-oxo-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butanoic acid?
The InChIKey is QVZDBBGXELZGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-14(5-6-15(19)20)17-8-7-13-11(9-17)10-3-1-2-4-12(10)16-13/h1-4,16H,5-9H2,(H,19,20).
What are the key properties of 4-oxo-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butanoic acid?
4-oxo-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butanoic acid has a molecular weight of 272.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butanoic acid is sourced from PubChem (CID 39732411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).