2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid

C8H8N2O5 — CID 43635891

IUPAC2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C8H8N2O5/c11-5(9-3-8(14)15)4-10-6(12)1-2-7(10)13/h1-2H,3-4H2,(H,9,11)(H,14,15)
InChIKeyZCRPBQWJKBBTAY-UHFFFAOYSA-N
MW212.16 g/mol
LogP-1.89
Rot. Bonds4

About 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid

2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid (PubChem CID 43635891) has the molecular formula C8H8N2O5 and a molecular weight of 212.16 g/mol. Its IUPAC name is 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid
PubChem CID43635891
Molecular FormulaC8H8N2O5
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C8H8N2O5/c11-5(9-3-8(14)15)4-10-6(12)1-2-7(10)13/h1-2H,3-4H2,(H,9,11)(H,14,15)
InChIKeyZCRPBQWJKBBTAY-UHFFFAOYSA-N
XLogP-1.89
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 5-1.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid (CID 43635891) is 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid is O=C(O)CNC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid?
The InChIKey is ZCRPBQWJKBBTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O5/c11-5(9-3-8(14)15)4-10-6(12)1-2-7(10)13/h1-2H,3-4H2,(H,9,11)(H,14,15).
What are the key properties of 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid?
2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid has a molecular weight of 212.16 g/mol, XLogP of -1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 43635891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).