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

C8H13NO2 — CID 51342230

IUPAC6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCNCC2
InChIInChI=1S/C8H13NO2/c10-7(11)6-5-8(6)1-3-9-4-2-8/h6,9H,1-5H2,(H,10,11)
InChIKeyIGWUPWROVTYRES-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.46
Rot. Bonds1

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

6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 51342230) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID51342230
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCNCC2
InChIInChI=1S/C8H13NO2/c10-7(11)6-5-8(6)1-3-9-4-2-8/h6,9H,1-5H2,(H,10,11)
InChIKeyIGWUPWROVTYRES-UHFFFAOYSA-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 ≤ 500155.20
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-deuterio-6-azaspiro[2.5]octane-2-carboxylic acid
CID 175702388
(2R)-spiro[2.5]octane-2-carboxylic acid
CID 10419388
5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride
CID 122163372
8-azaspiro[4.5]decane-10-carboxylic acid
CID 91278637
6-aminospiro[2.5]octane-2-carboxylic acid
CID 84653499
6-oxospiro[2.5]octane-2-carboxylic acid
CID 84653004
(2S,4S)-1-(6-azaspiro[2.5]octane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712851
6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 59395230
1-(6-azaspiro[2.5]octan-2-yl)-3-phenylpropan-1-one
CID 116573115
6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone
CID 116573137
ethane;6-methyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 144539411
6-(methylamino)spiro[2.5]octane-2-carboxylic acid
CID 129319663

Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-azaspiro[2.5]octane-2-carboxylic acid (CID 51342230) is 6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCNCC2.
What is the InChIKey of 6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is IGWUPWROVTYRES-UHFFFAOYSA-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).
What are the key properties of 6-azaspiro[2.5]octane-2-carboxylic acid?
6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 155.20 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-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 51342230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).