2-(1H-pyrrole-2-carbonylamino)oxyacetic acid

C7H8N2O4 — CID 63931399

IUPAC2-(1H-pyrrole-2-carbonylamino)oxyacetic acid
SMILESO=C(O)CONC(=O)c1ccc[nH]1
InChIInChI=1S/C7H8N2O4/c10-6(11)4-13-9-7(12)5-2-1-3-8-5/h1-3,8H,4H2,(H,9,12)(H,10,11)
InChIKeyHSBGGIBDHACQLY-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.24
Rot. Bonds4

About 2-(1H-pyrrole-2-carbonylamino)oxyacetic acid

2-(1H-pyrrole-2-carbonylamino)oxyacetic acid (PubChem CID 63931399) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(1H-pyrrole-2-carbonylamino)oxyacetic acid.

Molecular Properties

Compound Name2-(1H-pyrrole-2-carbonylamino)oxyacetic acid
PubChem CID63931399
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name2-(1H-pyrrole-2-carbonylamino)oxyacetic acid
SMILESO=C(O)CONC(=O)c1ccc[nH]1
InChIInChI=1S/C7H8N2O4/c10-6(11)4-13-9-7(12)5-2-1-3-8-5/h1-3,8H,4H2,(H,9,12)(H,10,11)
InChIKeyHSBGGIBDHACQLY-UHFFFAOYSA-N
XLogP-0.24
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrole-2-carbonylamino)oxyacetic acid?
The IUPAC name of 2-(1H-pyrrole-2-carbonylamino)oxyacetic acid (CID 63931399) is 2-(1H-pyrrole-2-carbonylamino)oxyacetic acid.
What is the SMILES notation for 2-(1H-pyrrole-2-carbonylamino)oxyacetic acid?
The canonical SMILES for 2-(1H-pyrrole-2-carbonylamino)oxyacetic acid is O=C(O)CONC(=O)c1ccc[nH]1.
What is the InChIKey of 2-(1H-pyrrole-2-carbonylamino)oxyacetic acid?
The InChIKey is HSBGGIBDHACQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c10-6(11)4-13-9-7(12)5-2-1-3-8-5/h1-3,8H,4H2,(H,9,12)(H,10,11).
What are the key properties of 2-(1H-pyrrole-2-carbonylamino)oxyacetic acid?
2-(1H-pyrrole-2-carbonylamino)oxyacetic acid has a molecular weight of 184.15 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrole-2-carbonylamino)oxyacetic acid is sourced from PubChem (CID 63931399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).