2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethoxy]acetic acid

C12H17NO5 — CID 79457188

IUPAC2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethoxy]acetic acid
SMILESO=C(O)COCCN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C12H17NO5/c14-9-7-12(3-1-2-4-12)11(17)13(9)5-6-18-8-10(15)16/h1-8H2,(H,15,16)
InChIKeyBRZVDPWCRXJCTJ-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.41
Rot. Bonds5

About 2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethoxy]acetic acid

2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethoxy]acetic acid (PubChem CID 79457188) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethoxy]acetic acid
PubChem CID79457188
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethoxy]acetic acid
SMILESO=C(O)COCCN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C12H17NO5/c14-9-7-12(3-1-2-4-12)11(17)13(9)5-6-18-8-10(15)16/h1-8H2,(H,15,16)
InChIKeyBRZVDPWCRXJCTJ-UHFFFAOYSA-N
XLogP0.41
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethoxy]acetic acid?
The IUPAC name of 2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethoxy]acetic acid (CID 79457188) is 2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethoxy]acetic acid is O=C(O)COCCN1C(=O)CC2(CCCC2)C1=O.
What is the InChIKey of 2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethoxy]acetic acid?
The InChIKey is BRZVDPWCRXJCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c14-9-7-12(3-1-2-4-12)11(17)13(9)5-6-18-8-10(15)16/h1-8H2,(H,15,16).
What are the key properties of 2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethoxy]acetic acid?
2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethoxy]acetic acid has a molecular weight of 255.27 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethoxy]acetic acid is sourced from PubChem (CID 79457188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).