3-oxo-2-azaspiro[4.5]decane-4-carboxylic acid

C10H15NO3 — CID 19354262

IUPAC3-oxo-2-azaspiro[4.5]decane-4-carboxylic acid
SMILESO=C(O)C1C(=O)NCC12CCCCC2
InChIInChI=1S/C10H15NO3/c12-8-7(9(13)14)10(6-11-8)4-2-1-3-5-10/h7H,1-6H2,(H,11,12)(H,13,14)
InChIKeyDRBOKCASMWWBLK-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.77
Rot. Bonds1

About 3-oxo-2-azaspiro[4.5]decane-4-carboxylic acid

3-oxo-2-azaspiro[4.5]decane-4-carboxylic acid (PubChem CID 19354262) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-oxo-2-azaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2-azaspiro[4.5]decane-4-carboxylic acid
PubChem CID19354262
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-oxo-2-azaspiro[4.5]decane-4-carboxylic acid
SMILESO=C(O)C1C(=O)NCC12CCCCC2
InChIInChI=1S/C10H15NO3/c12-8-7(9(13)14)10(6-11-8)4-2-1-3-5-10/h7H,1-6H2,(H,11,12)(H,13,14)
InChIKeyDRBOKCASMWWBLK-UHFFFAOYSA-N
XLogP0.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-azaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 3-oxo-2-azaspiro[4.5]decane-4-carboxylic acid (CID 19354262) is 3-oxo-2-azaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 3-oxo-2-azaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 3-oxo-2-azaspiro[4.5]decane-4-carboxylic acid is O=C(O)C1C(=O)NCC12CCCCC2.
What is the InChIKey of 3-oxo-2-azaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is DRBOKCASMWWBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-8-7(9(13)14)10(6-11-8)4-2-1-3-5-10/h7H,1-6H2,(H,11,12)(H,13,14).
What are the key properties of 3-oxo-2-azaspiro[4.5]decane-4-carboxylic acid?
3-oxo-2-azaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-azaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 19354262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).