5-oxo-4-propan-2-yl-4-azaspiro[2.4]heptane-7-carboxylic acid

C10H15NO3 — CID 105450634

IUPAC5-oxo-4-propan-2-yl-4-azaspiro[2.4]heptane-7-carboxylic acid
SMILESCC(C)N1C(=O)CC(C(=O)O)C12CC2
InChIInChI=1S/C10H15NO3/c1-6(2)11-8(12)5-7(9(13)14)10(11)3-4-10/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyZKTNQNDZKKPMRI-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.86
Rot. Bonds2

About 5-oxo-4-propan-2-yl-4-azaspiro[2.4]heptane-7-carboxylic acid

5-oxo-4-propan-2-yl-4-azaspiro[2.4]heptane-7-carboxylic acid (PubChem CID 105450634) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 5-oxo-4-propan-2-yl-4-azaspiro[2.4]heptane-7-carboxylic acid.

Molecular Properties

Compound Name5-oxo-4-propan-2-yl-4-azaspiro[2.4]heptane-7-carboxylic acid
PubChem CID105450634
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name5-oxo-4-propan-2-yl-4-azaspiro[2.4]heptane-7-carboxylic acid
SMILESCC(C)N1C(=O)CC(C(=O)O)C12CC2
InChIInChI=1S/C10H15NO3/c1-6(2)11-8(12)5-7(9(13)14)10(11)3-4-10/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyZKTNQNDZKKPMRI-UHFFFAOYSA-N
XLogP0.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-4-propan-2-yl-4-azaspiro[2.4]heptane-7-carboxylic acid?
The IUPAC name of 5-oxo-4-propan-2-yl-4-azaspiro[2.4]heptane-7-carboxylic acid (CID 105450634) is 5-oxo-4-propan-2-yl-4-azaspiro[2.4]heptane-7-carboxylic acid.
What is the SMILES notation for 5-oxo-4-propan-2-yl-4-azaspiro[2.4]heptane-7-carboxylic acid?
The canonical SMILES for 5-oxo-4-propan-2-yl-4-azaspiro[2.4]heptane-7-carboxylic acid is CC(C)N1C(=O)CC(C(=O)O)C12CC2.
What is the InChIKey of 5-oxo-4-propan-2-yl-4-azaspiro[2.4]heptane-7-carboxylic acid?
The InChIKey is ZKTNQNDZKKPMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6(2)11-8(12)5-7(9(13)14)10(11)3-4-10/h6-7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 5-oxo-4-propan-2-yl-4-azaspiro[2.4]heptane-7-carboxylic acid?
5-oxo-4-propan-2-yl-4-azaspiro[2.4]heptane-7-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4-propan-2-yl-4-azaspiro[2.4]heptane-7-carboxylic acid is sourced from PubChem (CID 105450634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).