6-(3-indol-1-ylpropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C19H22N2O3 — CID 119174857

IUPAC6-(3-indol-1-ylpropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)CCn1ccc3ccccc31)CC2
InChIInChI=1S/C19H22N2O3/c22-17(6-10-20-9-5-14-3-1-2-4-16(14)20)21-11-7-19(8-12-21)13-15(19)18(23)24/h1-5,9,15H,6-8,10-13H2,(H,23,24)
InChIKeyVOPOETIUELESKK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.74
Rot. Bonds4

About 6-(3-indol-1-ylpropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(3-indol-1-ylpropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119174857) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-(3-indol-1-ylpropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-indol-1-ylpropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119174857
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name6-(3-indol-1-ylpropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)CCn1ccc3ccccc31)CC2
InChIInChI=1S/C19H22N2O3/c22-17(6-10-20-9-5-14-3-1-2-4-16(14)20)21-11-7-19(8-12-21)13-15(19)18(23)24/h1-5,9,15H,6-8,10-13H2,(H,23,24)
InChIKeyVOPOETIUELESKK-UHFFFAOYSA-N
XLogP2.74
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid
CID 124703983
1-(4-benzoyl-1,4-diazepan-1-yl)-3-indol-1-ylpropan-1-one
CID 36615779
3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 9255042
6-(4-naphthalen-2-ylbutanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514748
6-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136530
1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-indol-1-ylpropan-1-one
CID 126778929
6-[3-(4-methoxyphenyl)sulfanylpropanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174750
4-[4-(3-indol-1-ylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 27330276
3-indol-1-yl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 24505236
N-(2-indol-1-ylethyl)-N-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 72868306
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-indol-1-ylpropan-1-one
CID 95313767
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-indol-1-ylpropan-1-one
CID 29206051

Frequently Asked Questions

What is the IUPAC name of 6-(3-indol-1-ylpropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(3-indol-1-ylpropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119174857) is 6-(3-indol-1-ylpropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(3-indol-1-ylpropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(3-indol-1-ylpropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(C(=O)CCn1ccc3ccccc31)CC2.
What is the InChIKey of 6-(3-indol-1-ylpropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is VOPOETIUELESKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-17(6-10-20-9-5-14-3-1-2-4-16(14)20)21-11-7-19(8-12-21)13-15(19)18(23)24/h1-5,9,15H,6-8,10-13H2,(H,23,24).
What are the key properties of 6-(3-indol-1-ylpropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(3-indol-1-ylpropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-indol-1-ylpropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119174857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).