4-acetyl-4-azaspiro[2.5]octane-6-carboxylic acid

C10H15NO3 — CID 167741680

IUPAC4-acetyl-4-azaspiro[2.5]octane-6-carboxylic acid
SMILESCC(=O)N1CC(C(=O)O)CCC12CC2
InChIInChI=1S/C10H15NO3/c1-7(12)11-6-8(9(13)14)2-3-10(11)4-5-10/h8H,2-6H2,1H3,(H,13,14)
InChIKeyYXRLLOWOGWTPBK-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.86
Rot. Bonds1

About 4-acetyl-4-azaspiro[2.5]octane-6-carboxylic acid

4-acetyl-4-azaspiro[2.5]octane-6-carboxylic acid (PubChem CID 167741680) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-acetyl-4-azaspiro[2.5]octane-6-carboxylic acid.

Molecular Properties

Compound Name4-acetyl-4-azaspiro[2.5]octane-6-carboxylic acid
PubChem CID167741680
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-acetyl-4-azaspiro[2.5]octane-6-carboxylic acid
SMILESCC(=O)N1CC(C(=O)O)CCC12CC2
InChIInChI=1S/C10H15NO3/c1-7(12)11-6-8(9(13)14)2-3-10(11)4-5-10/h8H,2-6H2,1H3,(H,13,14)
InChIKeyYXRLLOWOGWTPBK-UHFFFAOYSA-N
XLogP0.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 4-acetyl-4-azaspiro[2.5]octane-6-carboxylic acid?
The IUPAC name of 4-acetyl-4-azaspiro[2.5]octane-6-carboxylic acid (CID 167741680) is 4-acetyl-4-azaspiro[2.5]octane-6-carboxylic acid.
What is the SMILES notation for 4-acetyl-4-azaspiro[2.5]octane-6-carboxylic acid?
The canonical SMILES for 4-acetyl-4-azaspiro[2.5]octane-6-carboxylic acid is CC(=O)N1CC(C(=O)O)CCC12CC2.
What is the InChIKey of 4-acetyl-4-azaspiro[2.5]octane-6-carboxylic acid?
The InChIKey is YXRLLOWOGWTPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(12)11-6-8(9(13)14)2-3-10(11)4-5-10/h8H,2-6H2,1H3,(H,13,14).
What are the key properties of 4-acetyl-4-azaspiro[2.5]octane-6-carboxylic acid?
4-acetyl-4-azaspiro[2.5]octane-6-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-4-azaspiro[2.5]octane-6-carboxylic acid is sourced from PubChem (CID 167741680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).