6-(2,2-dicyclopropylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C16H23NO3 — CID 120514832

IUPAC6-(2,2-dicyclopropylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)C(C1CC1)C1CC1)CC2
InChIInChI=1S/C16H23NO3/c18-14(13(10-1-2-10)11-3-4-11)17-7-5-16(6-8-17)9-12(16)15(19)20/h10-13H,1-9H2,(H,19,20)
InChIKeyCYAHEZSUTIPVNZ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.14
Rot. Bonds4

About 6-(2,2-dicyclopropylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(2,2-dicyclopropylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 120514832) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 6-(2,2-dicyclopropylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,2-dicyclopropylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID120514832
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name6-(2,2-dicyclopropylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)C(C1CC1)C1CC1)CC2
InChIInChI=1S/C16H23NO3/c18-14(13(10-1-2-10)11-3-4-11)17-7-5-16(6-8-17)9-12(16)15(19)20/h10-13H,1-9H2,(H,19,20)
InChIKeyCYAHEZSUTIPVNZ-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2,2-dicyclopropylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid with MolForge

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Related Compounds

6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174410
6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175025
(2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 174002395
6-(2-ethylsulfanyl-3-methylbutanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175335
6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514848
6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 59395230
ethane;6-methyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 144539411
6-(2-methoxy-2-phenylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174526
6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174433
6-[2-(3,4-dichlorophenyl)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175536
6-(3-methyl-2-phenylpentanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175638
6-[2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175613

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dicyclopropylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(2,2-dicyclopropylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 120514832) is 6-(2,2-dicyclopropylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(2,2-dicyclopropylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(2,2-dicyclopropylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(C(=O)C(C1CC1)C1CC1)CC2.
What is the InChIKey of 6-(2,2-dicyclopropylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is CYAHEZSUTIPVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c18-14(13(10-1-2-10)11-3-4-11)17-7-5-16(6-8-17)9-12(16)15(19)20/h10-13H,1-9H2,(H,19,20).
What are the key properties of 6-(2,2-dicyclopropylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(2,2-dicyclopropylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 277.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dicyclopropylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 120514832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).