2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-2-yl)acetic acid

C11H13NO4 — CID 142165575

IUPAC2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-2-yl)acetic acid
SMILESO=C(O)CC12C(=O)NC(=O)C1C1CCC2C1
InChIInChI=1S/C11H13NO4/c13-7(14)4-11-6-2-1-5(3-6)8(11)9(15)12-10(11)16/h5-6,8H,1-4H2,(H,13,14)(H,12,15,16)
InChIKeyRXGICVMNNLHSGY-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.15
Rot. Bonds2

About 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-2-yl)acetic acid

2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-2-yl)acetic acid (PubChem CID 142165575) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-2-yl)acetic acid
PubChem CID142165575
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-2-yl)acetic acid
SMILESO=C(O)CC12C(=O)NC(=O)C1C1CCC2C1
InChIInChI=1S/C11H13NO4/c13-7(14)4-11-6-2-1-5(3-6)8(11)9(15)12-10(11)16/h5-6,8H,1-4H2,(H,13,14)(H,12,15,16)
InChIKeyRXGICVMNNLHSGY-UHFFFAOYSA-N
XLogP0.15
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.15
H-Bond Donors ≤ 52
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-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-2-yl)acetic acid?
The IUPAC name of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-2-yl)acetic acid (CID 142165575) is 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-2-yl)acetic acid.
What is the SMILES notation for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-2-yl)acetic acid?
The canonical SMILES for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-2-yl)acetic acid is O=C(O)CC12C(=O)NC(=O)C1C1CCC2C1.
What is the InChIKey of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-2-yl)acetic acid?
The InChIKey is RXGICVMNNLHSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-7(14)4-11-6-2-1-5(3-6)8(11)9(15)12-10(11)16/h5-6,8H,1-4H2,(H,13,14)(H,12,15,16).
What are the key properties of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-2-yl)acetic acid?
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-2-yl)acetic acid has a molecular weight of 223.23 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-2-yl)acetic acid is sourced from PubChem (CID 142165575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).