6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C16H23NO3 — CID 119175025

IUPAC6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)C1CC13CCCC3)CC2
InChIInChI=1S/C16H23NO3/c18-13(11-9-15(11)3-1-2-4-15)17-7-5-16(6-8-17)10-12(16)14(19)20/h11-12H,1-10H2,(H,19,20)
InChIKeyIDLORSVVLRCCKO-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.28
Rot. Bonds2

About 6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119175025) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119175025
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)C1CC13CCCC3)CC2
InChIInChI=1S/C16H23NO3/c18-13(11-9-15(11)3-1-2-4-15)17-7-5-16(6-8-17)10-12(16)14(19)20/h11-12H,1-10H2,(H,19,20)
InChIKeyIDLORSVVLRCCKO-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174410
(2R)-spiro[2.5]octane-2-carboxylic acid
CID 10419388
6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514848
(2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 174002395
6-(2-methyloxane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514750
6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 59395230
6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174433
ethane;6-methyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 144539411
6-(2,2-dicyclopropylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514832
5-azaspiro[2.4]heptan-2-yl(pyrrolidin-1-yl)methanone
CID 131208946
[(2R,3S)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone
CID 97492765
5-oxa-8-azaspiro[2.6]nonan-8-yl(spiro[2.4]heptan-2-yl)methanone
CID 127807974

Frequently Asked Questions

What is the IUPAC name of 6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119175025) is 6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(C(=O)C1CC13CCCC3)CC2.
What is the InChIKey of 6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is IDLORSVVLRCCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c18-13(11-9-15(11)3-1-2-4-15)17-7-5-16(6-8-17)10-12(16)14(19)20/h11-12H,1-10H2,(H,19,20).
What are the key properties of 6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 277.36 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119175025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).