2-propanoyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid

C15H16N2O3 — CID 56766556

IUPAC2-propanoyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
SMILESCCC(=O)N1CCc2[nH]c3ccc(C(=O)O)cc3c2C1
InChIInChI=1S/C15H16N2O3/c1-2-14(18)17-6-5-13-11(8-17)10-7-9(15(19)20)3-4-12(10)16-13/h3-4,7,16H,2,5-6,8H2,1H3,(H,19,20)
InChIKeyUKYOQFAFKSCIQH-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.16
Rot. Bonds2

About 2-propanoyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid

2-propanoyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid (PubChem CID 56766556) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-propanoyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid.

Molecular Properties

Compound Name2-propanoyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
PubChem CID56766556
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-propanoyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
SMILESCCC(=O)N1CCc2[nH]c3ccc(C(=O)O)cc3c2C1
InChIInChI=1S/C15H16N2O3/c1-2-14(18)17-6-5-13-11(8-17)10-7-9(15(19)20)3-4-12(10)16-13/h3-4,7,16H,2,5-6,8H2,1H3,(H,19,20)
InChIKeyUKYOQFAFKSCIQH-UHFFFAOYSA-N
XLogP2.16
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-propanoyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-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

Related Compounds

2-(3,4-dimethylbenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 113081838
2-[4-(dimethylsulfamoyl)benzoyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 75414304
2-(furan-2-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 113081820
2-butylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 113081876
methyl 2-(4-methoxycarbonylbenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 32756389
methyl 2-[2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 86860963
8-(8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-8-oxooctanoic acid
CID 175679371
2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 167927005
methyl 2-[2-(4-benzylpiperazin-1-yl)acetyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 30863859
methyl 2-[2-(3,4-dimethoxyphenyl)acetyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 32757407
1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexan-1-one
CID 36804449
[4-(4-ethylphenyl)phenyl]-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 141122674

Frequently Asked Questions

What is the IUPAC name of 2-propanoyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid?
The IUPAC name of 2-propanoyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid (CID 56766556) is 2-propanoyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid.
What is the SMILES notation for 2-propanoyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid?
The canonical SMILES for 2-propanoyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid is CCC(=O)N1CCc2[nH]c3ccc(C(=O)O)cc3c2C1.
What is the InChIKey of 2-propanoyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid?
The InChIKey is UKYOQFAFKSCIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-14(18)17-6-5-13-11(8-17)10-7-9(15(19)20)3-4-12(10)16-13/h3-4,7,16H,2,5-6,8H2,1H3,(H,19,20).
What are the key properties of 2-propanoyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid?
2-propanoyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propanoyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid is sourced from PubChem (CID 56766556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).