6-deuterio-6-azaspiro[2.5]octane-2-carboxylic acid

C8H13NO2 — CID 175702388

IUPAC6-deuterio-6-azaspiro[2.5]octane-2-carboxylic acid
SMILES[2H]N1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C8H13NO2/c10-7(11)6-5-8(6)1-3-9-4-2-8/h6,9H,1-5H2,(H,10,11)/i/hD
InChIKeyIGWUPWROVTYRES-DYCDLGHISA-N
MW156.20 g/mol
LogP0.46
Rot. Bonds1

About 6-deuterio-6-azaspiro[2.5]octane-2-carboxylic acid

6-deuterio-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 175702388) has the molecular formula C8H13NO2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 6-deuterio-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-deuterio-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID175702388
Molecular FormulaC8H13NO2
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name6-deuterio-6-azaspiro[2.5]octane-2-carboxylic acid
SMILES[2H]N1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C8H13NO2/c10-7(11)6-5-8(6)1-3-9-4-2-8/h6,9H,1-5H2,(H,10,11)/i/hD
InChIKeyIGWUPWROVTYRES-DYCDLGHISA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-deuterio-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-deuterio-6-azaspiro[2.5]octane-2-carboxylic acid (CID 175702388) is 6-deuterio-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-deuterio-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-deuterio-6-azaspiro[2.5]octane-2-carboxylic acid is [2H]N1CCC2(CC1)CC2C(=O)O.
What is the InChIKey of 6-deuterio-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is IGWUPWROVTYRES-DYCDLGHISA-N. The full InChI is InChI=1S/C8H13NO2/c10-7(11)6-5-8(6)1-3-9-4-2-8/h6,9H,1-5H2,(H,10,11)/i/hD.
What are the key properties of 6-deuterio-6-azaspiro[2.5]octane-2-carboxylic acid?
6-deuterio-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 156.20 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-deuterio-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 175702388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).