6-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid

C19H22N2O4 — CID 120514837

IUPAC6-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCOc1cccc2[nH]cc(CC(=O)N3CCC4(CC3)CC4C(=O)O)c12
InChIInChI=1S/C19H22N2O4/c1-25-15-4-2-3-14-17(15)12(11-20-14)9-16(22)21-7-5-19(6-8-21)10-13(19)18(23)24/h2-4,11,13,20H,5-10H2,1H3,(H,23,24)
InChIKeyYKFUFTNEMCLFBE-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.43
Rot. Bonds4

About 6-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid

6-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 120514837) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is 6-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID120514837
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name6-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCOc1cccc2[nH]cc(CC(=O)N3CCC4(CC3)CC4C(=O)O)c12
InChIInChI=1S/C19H22N2O4/c1-25-15-4-2-3-14-17(15)12(11-20-14)9-16(22)21-7-5-19(6-8-21)10-13(19)18(23)24/h2-4,11,13,20H,5-10H2,1H3,(H,23,24)
InChIKeyYKFUFTNEMCLFBE-UHFFFAOYSA-N
XLogP2.43
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid with MolForge

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Related Compounds

6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119128135
3-fluoro-1-[2-(4-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120529779
(3R,4R)-4-cyclopropyl-1-[2-(4-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120979977
(6R)-4-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-methylmorpholine-2-carboxylic acid
CID 120536282
6-[2-(7-ethyl-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175180
6-[2-(3,4,5-trimethoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175386
2-(4-methoxy-1H-indol-3-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone
CID 136521359
4-hydroxy-1-[2-(4-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119251873
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methyl-1H-indol-3-yl)ethanone
CID 110853564
1-[(1R,6R)-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptan-3-yl]-2-(4-ethoxy-1H-indol-3-yl)ethanone
CID 125143627
2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone
CID 136586906
6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514844

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid (CID 120514837) is 6-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid is COc1cccc2[nH]cc(CC(=O)N3CCC4(CC3)CC4C(=O)O)c12.
What is the InChIKey of 6-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is YKFUFTNEMCLFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-25-15-4-2-3-14-17(15)12(11-20-14)9-16(22)21-7-5-19(6-8-21)10-13(19)18(23)24/h2-4,11,13,20H,5-10H2,1H3,(H,23,24).
What are the key properties of 6-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
6-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 342.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 120514837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).