1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carboxylic acid

C11H15NO4 — CID 66369528

IUPAC1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)N2CC3CCC(C2)O3)CC1
InChIInChI=1S/C11H15NO4/c13-9(11(3-4-11)10(14)15)12-5-7-1-2-8(6-12)16-7/h7-8H,1-6H2,(H,14,15)
InChIKeyVZNHKPVWQZUJTK-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.24
Rot. Bonds2

About 1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carboxylic acid

1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 66369528) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID66369528
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)N2CC3CCC(C2)O3)CC1
InChIInChI=1S/C11H15NO4/c13-9(11(3-4-11)10(14)15)12-5-7-1-2-8(6-12)16-7/h7-8H,1-6H2,(H,14,15)
InChIKeyVZNHKPVWQZUJTK-UHFFFAOYSA-N
XLogP0.24
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carboxylic acid (CID 66369528) is 1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carboxylic acid is O=C(O)C1(C(=O)N2CC3CCC(C2)O3)CC1.
What is the InChIKey of 1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is VZNHKPVWQZUJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-9(11(3-4-11)10(14)15)12-5-7-1-2-8(6-12)16-7/h7-8H,1-6H2,(H,14,15).
What are the key properties of 1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carboxylic acid?
1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 66369528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).