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

C14H21N3O6 — CID 54691727

IUPAC4-hydroxy-1-[2-(3-morpholin-4-ylpropanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid
SMILESO=C(CCN1CCOCC1)NCCN1CC(C(=O)O)=C(O)C1=O
InChIInChI=1S/C14H21N3O6/c18-11(1-3-16-5-7-23-8-6-16)15-2-4-17-9-10(14(21)22)12(19)13(17)20/h19H,1-9H2,(H,15,18)(H,21,22)
InChIKeyKZFHYLHZHAVMSU-UHFFFAOYSA-N
MW327.34 g/mol
LogP-1.44
Rot. Bonds7

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

4-hydroxy-1-[2-(3-morpholin-4-ylpropanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid (PubChem CID 54691727) has the molecular formula C14H21N3O6 and a molecular weight of 327.34 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(3-morpholin-4-ylpropanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-(3-morpholin-4-ylpropanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid
PubChem CID54691727
Molecular FormulaC14H21N3O6
Molecular Weight327.34 g/mol
Exact Mass327.14
IUPAC Name4-hydroxy-1-[2-(3-morpholin-4-ylpropanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid
SMILESO=C(CCN1CCOCC1)NCCN1CC(C(=O)O)=C(O)C1=O
InChIInChI=1S/C14H21N3O6/c18-11(1-3-16-5-7-23-8-6-16)15-2-4-17-9-10(14(21)22)12(19)13(17)20/h19H,1-9H2,(H,15,18)(H,21,22)
InChIKeyKZFHYLHZHAVMSU-UHFFFAOYSA-N
XLogP-1.44
TPSA119.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-1-[2-(3-morpholin-4-ylpropanoylamino)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-(3-morpholin-4-ylpropanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-(3-morpholin-4-ylpropanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid (CID 54691727) is 4-hydroxy-1-[2-(3-morpholin-4-ylpropanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-(3-morpholin-4-ylpropanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-(3-morpholin-4-ylpropanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid is O=C(CCN1CCOCC1)NCCN1CC(C(=O)O)=C(O)C1=O.
What is the InChIKey of 4-hydroxy-1-[2-(3-morpholin-4-ylpropanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid?
The InChIKey is KZFHYLHZHAVMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O6/c18-11(1-3-16-5-7-23-8-6-16)15-2-4-17-9-10(14(21)22)12(19)13(17)20/h19H,1-9H2,(H,15,18)(H,21,22).
What are the key properties of 4-hydroxy-1-[2-(3-morpholin-4-ylpropanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid?
4-hydroxy-1-[2-(3-morpholin-4-ylpropanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid has a molecular weight of 327.34 g/mol, XLogP of -1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(3-morpholin-4-ylpropanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 54691727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).