3-(6,9-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic acid

C16H20N2O2 — CID 84743197

IUPAC3-(6,9-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic acid
SMILESCc1ccc(C)c2c1c(CCC(=O)O)c1n2CCNC1
InChIInChI=1S/C16H20N2O2/c1-10-3-4-11(2)16-15(10)12(5-6-14(19)20)13-9-17-7-8-18(13)16/h3-4,17H,5-9H2,1-2H3,(H,19,20)
InChIKeyBGFGPJIRFLEXRD-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.38
Rot. Bonds3

About 3-(6,9-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic acid

3-(6,9-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic acid (PubChem CID 84743197) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(6,9-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic acid.

Molecular Properties

Compound Name3-(6,9-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic acid
PubChem CID84743197
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-(6,9-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic acid
SMILESCc1ccc(C)c2c1c(CCC(=O)O)c1n2CCNC1
InChIInChI=1S/C16H20N2O2/c1-10-3-4-11(2)16-15(10)12(5-6-14(19)20)13-9-17-7-8-18(13)16/h3-4,17H,5-9H2,1-2H3,(H,19,20)
InChIKeyBGFGPJIRFLEXRD-UHFFFAOYSA-N
XLogP2.38
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(6,9-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic 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

3-(6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic acid
CID 84743259
6-methoxy-9-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid
CID 84638111
6-methoxy-9,10-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84626274
3-(2,3,4,7-tetramethylindol-1-yl)propanoic acid
CID 82497937
3-(2-fluoro-6-hydroxy-3-methylphenyl)propanoic acid
CID 84668059
2-[4,7-dimethyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetic acid
CID 83947579
3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 110833337
3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)propanoic acid
CID 82526228
5,8,9-trimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 82492831
6-methoxy-8-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid
CID 84638105
3-(1,2,4,5,6,7-hexamethylindol-3-yl)propanoic acid
CID 21339087
3-(1,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)propanoic acid
CID 96594752

Frequently Asked Questions

What is the IUPAC name of 3-(6,9-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic acid?
The IUPAC name of 3-(6,9-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic acid (CID 84743197) is 3-(6,9-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic acid.
What is the SMILES notation for 3-(6,9-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic acid?
The canonical SMILES for 3-(6,9-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic acid is Cc1ccc(C)c2c1c(CCC(=O)O)c1n2CCNC1.
What is the InChIKey of 3-(6,9-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic acid?
The InChIKey is BGFGPJIRFLEXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-3-4-11(2)16-15(10)12(5-6-14(19)20)13-9-17-7-8-18(13)16/h3-4,17H,5-9H2,1-2H3,(H,19,20).
What are the key properties of 3-(6,9-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic acid?
3-(6,9-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic acid has a molecular weight of 272.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,9-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic acid is sourced from PubChem (CID 84743197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).