2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid

C12H17NO4 — CID 43804746

IUPAC2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid
SMILESO=C(O)CN1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C12H17NO4/c14-9-6-12(4-2-1-3-5-12)7-10(15)13(9)8-11(16)17/h1-8H2,(H,16,17)
InChIKeyFZINPCUMGQPSAG-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.17
Rot. Bonds2

About 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid

2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid (PubChem CID 43804746) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid
PubChem CID43804746
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid
SMILESO=C(O)CN1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C12H17NO4/c14-9-6-12(4-2-1-3-5-12)7-10(15)13(9)8-11(16)17/h1-8H2,(H,16,17)
InChIKeyFZINPCUMGQPSAG-UHFFFAOYSA-N
XLogP1.17
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid?
The IUPAC name of 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid (CID 43804746) is 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid.
What is the SMILES notation for 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid?
The canonical SMILES for 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid is O=C(O)CN1C(=O)CC2(CCCCC2)CC1=O.
What is the InChIKey of 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid?
The InChIKey is FZINPCUMGQPSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c14-9-6-12(4-2-1-3-5-12)7-10(15)13(9)8-11(16)17/h1-8H2,(H,16,17).
What are the key properties of 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid?
2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid has a molecular weight of 239.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid is sourced from PubChem (CID 43804746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).