4-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid

C9H14N2O5 — CID 54691752

IUPAC4-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid
SMILESO=C(O)C1=C(O)C(=O)N(CCNCCO)C1
InChIInChI=1S/C9H14N2O5/c12-4-2-10-1-3-11-5-6(9(15)16)7(13)8(11)14/h10,12-13H,1-5H2,(H,15,16)
InChIKeyQPEVDZWRMBMITB-UHFFFAOYSA-N
MW230.22 g/mol
LogP-1.69
Rot. Bonds6

About 4-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid

4-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid (PubChem CID 54691752) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid
PubChem CID54691752
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name4-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid
SMILESO=C(O)C1=C(O)C(=O)N(CCNCCO)C1
InChIInChI=1S/C9H14N2O5/c12-4-2-10-1-3-11-5-6(9(15)16)7(13)8(11)14/h10,12-13H,1-5H2,(H,15,16)
InChIKeyQPEVDZWRMBMITB-UHFFFAOYSA-N
XLogP-1.69
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid (CID 54691752) is 4-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid is O=C(O)C1=C(O)C(=O)N(CCNCCO)C1.
What is the InChIKey of 4-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid?
The InChIKey is QPEVDZWRMBMITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5/c12-4-2-10-1-3-11-5-6(9(15)16)7(13)8(11)14/h10,12-13H,1-5H2,(H,15,16).
What are the key properties of 4-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid?
4-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of -1.69, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 54691752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).