1-azaspiro[2.5]octane-5-carboxylic acid

C8H13NO2 — CID 89350897

IUPAC1-azaspiro[2.5]octane-5-carboxylic acid
SMILESO=C(O)C1CCCC2(CN2)C1
InChIInChI=1S/C8H13NO2/c10-7(11)6-2-1-3-8(4-6)5-9-8/h6,9H,1-5H2,(H,10,11)
InChIKeyGTWZADZSYZYBCI-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.60
Rot. Bonds1

About 1-azaspiro[2.5]octane-5-carboxylic acid

1-azaspiro[2.5]octane-5-carboxylic acid (PubChem CID 89350897) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-azaspiro[2.5]octane-5-carboxylic acid.

Molecular Properties

Compound Name1-azaspiro[2.5]octane-5-carboxylic acid
PubChem CID89350897
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-azaspiro[2.5]octane-5-carboxylic acid
SMILESO=C(O)C1CCCC2(CN2)C1
InChIInChI=1S/C8H13NO2/c10-7(11)6-2-1-3-8(4-6)5-9-8/h6,9H,1-5H2,(H,10,11)
InChIKeyGTWZADZSYZYBCI-UHFFFAOYSA-N
XLogP0.60
TPSA59.24 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 ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-azaspiro[2.4]heptane-5-carboxylic acid
CID 87945137
(9S)-spiro[4.5]decane-9-carboxylic acid
CID 67991694
2,2-dimethylazepane-4-carboxylic acid
CID 146013818
[(1S,3S)-1,3-dicarboxycyclohexyl]azanium
CID 23238239
3-amino-3-methylcyclohexane-1-carboxylic acid
CID 76540994
trans-(1R,3S)-3-methyl-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 124680789
cyclopentanecarboxylic acid
CID 18840
3,3-dihydroxycyclopentane-1-carboxylic acid
CID 67929383
spiro[4.5]decane-3-carboxylic acid
CID 13443385
tert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate
CID 155229416
cyclotetracosanecarboxylic acid
CID 176986816
cyclopentanecarboxylic acid;indigane
CID 173230713

Frequently Asked Questions

What is the IUPAC name of 1-azaspiro[2.5]octane-5-carboxylic acid?
The IUPAC name of 1-azaspiro[2.5]octane-5-carboxylic acid (CID 89350897) is 1-azaspiro[2.5]octane-5-carboxylic acid.
What is the SMILES notation for 1-azaspiro[2.5]octane-5-carboxylic acid?
The canonical SMILES for 1-azaspiro[2.5]octane-5-carboxylic acid is O=C(O)C1CCCC2(CN2)C1.
What is the InChIKey of 1-azaspiro[2.5]octane-5-carboxylic acid?
The InChIKey is GTWZADZSYZYBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-7(11)6-2-1-3-8(4-6)5-9-8/h6,9H,1-5H2,(H,10,11).
What are the key properties of 1-azaspiro[2.5]octane-5-carboxylic acid?
1-azaspiro[2.5]octane-5-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[2.5]octane-5-carboxylic acid is sourced from PubChem (CID 89350897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).