6-[2-(7-ethyl-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid

C20H24N2O3 — CID 119175180

IUPAC6-[2-(7-ethyl-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCCc1cccc2c(CC(=O)N3CCC4(CC3)CC4C(=O)O)c[nH]c12
InChIInChI=1S/C20H24N2O3/c1-2-13-4-3-5-15-14(12-21-18(13)15)10-17(23)22-8-6-20(7-9-22)11-16(20)19(24)25/h3-5,12,16,21H,2,6-11H2,1H3,(H,24,25)
InChIKeyXXHWRFARSZEFOI-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.99
Rot. Bonds4

About 6-[2-(7-ethyl-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid

6-[2-(7-ethyl-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119175180) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 6-[2-(7-ethyl-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(7-ethyl-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119175180
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name6-[2-(7-ethyl-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCCc1cccc2c(CC(=O)N3CCC4(CC3)CC4C(=O)O)c[nH]c12
InChIInChI=1S/C20H24N2O3/c1-2-13-4-3-5-15-14(12-21-18(13)15)10-17(23)22-8-6-20(7-9-22)11-16(20)19(24)25/h3-5,12,16,21H,2,6-11H2,1H3,(H,24,25)
InChIKeyXXHWRFARSZEFOI-UHFFFAOYSA-N
XLogP2.99
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-[2-(7-ethyl-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-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

(2S)-4-[2-(7-ethyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid
CID 124684080
6-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514837
6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119128135
6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514844
2-(7-ethyl-1H-indol-3-yl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 128969518
1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-(7-ethyl-1H-indol-3-yl)ethanone
CID 86904029
1-[(7-ethyl-1H-indol-3-yl)methyl]azetidine-3-carboxylic acid
CID 65071937
6-[2-(5-methylthiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175152
6-[2-(5-bromothiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175163
6-(3-ethylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175481
6-[2-(3,4,5-trimethoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175386
1-(azepan-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone
CID 110856311

Frequently Asked Questions

What is the IUPAC name of 6-[2-(7-ethyl-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-[2-(7-ethyl-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119175180) is 6-[2-(7-ethyl-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-[2-(7-ethyl-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-[2-(7-ethyl-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid is CCc1cccc2c(CC(=O)N3CCC4(CC3)CC4C(=O)O)c[nH]c12.
What is the InChIKey of 6-[2-(7-ethyl-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is XXHWRFARSZEFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-13-4-3-5-15-14(12-21-18(13)15)10-17(23)22-8-6-20(7-9-22)11-16(20)19(24)25/h3-5,12,16,21H,2,6-11H2,1H3,(H,24,25).
What are the key properties of 6-[2-(7-ethyl-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
6-[2-(7-ethyl-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(7-ethyl-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119175180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).