1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid

C7H11NO4 — CID 87944851

IUPAC1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
SMILESO=C(O)C1CC2(CCOO2)CN1
InChIInChI=1S/C7H11NO4/c9-6(10)5-3-7(4-8-5)1-2-11-12-7/h5,8H,1-4H2,(H,9,10)
InChIKeyFILBNAMYJCWSQL-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.48
Rot. Bonds1

About 1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid

1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid (PubChem CID 87944851) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid.

Molecular Properties

Compound Name1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
PubChem CID87944851
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
SMILESO=C(O)C1CC2(CCOO2)CN1
InChIInChI=1S/C7H11NO4/c9-6(10)5-3-7(4-8-5)1-2-11-12-7/h5,8H,1-4H2,(H,9,10)
InChIKeyFILBNAMYJCWSQL-UHFFFAOYSA-N
XLogP-0.48
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

Dioxa-7-azaspiro[4,4]nonane-8(s)-carboxylic acid ethyl ester
CID 129795855
(2S)-4-ethyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 53896608
1-Oxa-7-azaspiro[4.4]nonane-8-carboxylic acid
CID 66788698
(8S)-7-[(2S)-2-aminopropanoyl]-1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
CID 88670271
(3S)-6,7-dioxa-2-azaspiro[4.5]decane-3-carboxylic acid
CID 88743106
1-Oxa-7-azaspiro[3.4]octane-6-carboxylic acid
CID 142800719
(6S)-1-oxa-7-azaspiro[3.4]octane-6-carboxylic acid
CID 169766376

Frequently Asked Questions

What is the IUPAC name of 1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid?
The IUPAC name of 1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid (CID 87944851) is 1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid.
What is the SMILES notation for 1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid?
The canonical SMILES for 1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid is O=C(O)C1CC2(CCOO2)CN1.
What is the InChIKey of 1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid?
The InChIKey is FILBNAMYJCWSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c9-6(10)5-3-7(4-8-5)1-2-11-12-7/h5,8H,1-4H2,(H,9,10).
What are the key properties of 1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid?
1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid is sourced from PubChem (CID 87944851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).