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

C12H17NO3 — CID 119174410

IUPAC6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)C1CC1)CC2
InChIInChI=1S/C12H17NO3/c14-10(8-1-2-8)13-5-3-12(4-6-13)7-9(12)11(15)16/h8-9H,1-7H2,(H,15,16)
InChIKeyHSEAJGNZXJCWLS-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.11
Rot. Bonds2

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

6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119174410) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119174410
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)C1CC1)CC2
InChIInChI=1S/C12H17NO3/c14-10(8-1-2-8)13-5-3-12(4-6-13)7-9(12)11(15)16/h8-9H,1-7H2,(H,15,16)
InChIKeyHSEAJGNZXJCWLS-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514848
6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175025
6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174433
6-(2-methyloxane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514750
(2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 174002395
6-(2,2-dicyclopropylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514832
6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 59395230
6-[4-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136538
ethane;6-methyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 144539411
4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120691002
6-(3,4-dihydro-2H-chromene-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175341
(2S)-6-(cyclohexanecarbonyl)-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42541635

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119174410) is 6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(C(=O)C1CC1)CC2.
What is the InChIKey of 6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is HSEAJGNZXJCWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-10(8-1-2-8)13-5-3-12(4-6-13)7-9(12)11(15)16/h8-9H,1-7H2,(H,15,16).
What are the key properties of 6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119174410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).