1-azaspiro[2.4]heptane-5-carboxylic acid

C7H11NO2 — CID 87945137

IUPAC1-azaspiro[2.4]heptane-5-carboxylic acid
SMILESO=C(O)C1CCC2(CN2)C1
InChIInChI=1S/C7H11NO2/c9-6(10)5-1-2-7(3-5)4-8-7/h5,8H,1-4H2,(H,9,10)
InChIKeyMBZVXXRXALZRRT-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.21
Rot. Bonds1

About 1-azaspiro[2.4]heptane-5-carboxylic acid

1-azaspiro[2.4]heptane-5-carboxylic acid (PubChem CID 87945137) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-azaspiro[2.4]heptane-5-carboxylic acid.

Molecular Properties

Compound Name1-azaspiro[2.4]heptane-5-carboxylic acid
PubChem CID87945137
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-azaspiro[2.4]heptane-5-carboxylic acid
SMILESO=C(O)C1CCC2(CN2)C1
InChIInChI=1S/C7H11NO2/c9-6(10)5-1-2-7(3-5)4-8-7/h5,8H,1-4H2,(H,9,10)
InChIKeyMBZVXXRXALZRRT-UHFFFAOYSA-N
XLogP0.21
TPSA59.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.21
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[2.5]octane-5-carboxylic acid
CID 89350897
tert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate
CID 155229416
3,3-dihydroxycyclopentane-1-carboxylic acid
CID 67929383
(5R,8R)-2-azaspiro[4.4]nonane-8-carboxylic acid
CID 96850483
2,2-dimethylazepane-4-carboxylic acid
CID 146013818
spiro[4.5]decane-3-carboxylic acid
CID 13443385
2,3-diazadispiro[3.1.56.14]dodecane-9-carboxylic acid
CID 174190753
1,2-diazaspiro[5.5]undecane-9-carboxylic acid
CID 118064037
(8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylic acid
CID 99996158
3-acetyl-3-methylcyclopentane-1-carboxylic acid
CID 89159175
3-hydroxy-3-(trifluoromethyl)cyclopentane-1-carboxylic acid
CID 83915930
(9S)-spiro[4.5]decane-9-carboxylic acid
CID 67991694

Frequently Asked Questions

What is the IUPAC name of 1-azaspiro[2.4]heptane-5-carboxylic acid?
The IUPAC name of 1-azaspiro[2.4]heptane-5-carboxylic acid (CID 87945137) is 1-azaspiro[2.4]heptane-5-carboxylic acid.
What is the SMILES notation for 1-azaspiro[2.4]heptane-5-carboxylic acid?
The canonical SMILES for 1-azaspiro[2.4]heptane-5-carboxylic acid is O=C(O)C1CCC2(CN2)C1.
What is the InChIKey of 1-azaspiro[2.4]heptane-5-carboxylic acid?
The InChIKey is MBZVXXRXALZRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-6(10)5-1-2-7(3-5)4-8-7/h5,8H,1-4H2,(H,9,10).
What are the key properties of 1-azaspiro[2.4]heptane-5-carboxylic acid?
1-azaspiro[2.4]heptane-5-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[2.4]heptane-5-carboxylic acid is sourced from PubChem (CID 87945137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).