3-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid

C19H26N2O3 — CID 83984471

IUPAC3-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid
SMILESCCOCCN1Cc2cc3c(CCC(=O)O)c(C)n(C)c3cc2C1
InChIInChI=1S/C19H26N2O3/c1-4-24-8-7-21-11-14-9-17-16(5-6-19(22)23)13(2)20(3)18(17)10-15(14)12-21/h9-10H,4-8,11-12H2,1-3H3,(H,22,23)
InChIKeyFOCGCBSAZAYSFR-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.86
Rot. Bonds7

About 3-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid

3-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid (PubChem CID 83984471) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid
PubChem CID83984471
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name3-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid
SMILESCCOCCN1Cc2cc3c(CCC(=O)O)c(C)n(C)c3cc2C1
InChIInChI=1S/C19H26N2O3/c1-4-24-8-7-21-11-14-9-17-16(5-6-19(22)23)13(2)20(3)18(17)10-15(14)12-21/h9-10H,4-8,11-12H2,1-3H3,(H,22,23)
InChIKeyFOCGCBSAZAYSFR-UHFFFAOYSA-N
XLogP2.86
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-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

2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylethanamine
CID 112540994
1-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-methylpropan-2-amine
CID 112540993
2-amino-2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]ethanol
CID 83984473
1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propan-1-one
CID 112540852
2-(6-benzyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetic acid
CID 83984399
methyl 6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate
CID 83984021
2-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylethanamine
CID 112540938
3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylpropan-1-amine
CID 112540939
ethyl 6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate
CID 83984337
2-amino-3-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid
CID 83984029
methyl 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-methylpropanoate
CID 83984356
3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid
CID 82248917

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid?
The IUPAC name of 3-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid (CID 83984471) is 3-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid.
What is the SMILES notation for 3-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid?
The canonical SMILES for 3-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid is CCOCCN1Cc2cc3c(CCC(=O)O)c(C)n(C)c3cc2C1.
What is the InChIKey of 3-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid?
The InChIKey is FOCGCBSAZAYSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-4-24-8-7-21-11-14-9-17-16(5-6-19(22)23)13(2)20(3)18(17)10-15(14)12-21/h9-10H,4-8,11-12H2,1-3H3,(H,22,23).
What are the key properties of 3-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid?
3-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid has a molecular weight of 330.43 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid is sourced from PubChem (CID 83984471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).