4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxylic acid

C11H16N2O5 — CID 54691740

IUPAC4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxylic acid
SMILESO=C(O)C1=C(O)C(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C11H16N2O5/c14-9-8(11(16)17)7-13(10(9)15)2-1-12-3-5-18-6-4-12/h14H,1-7H2,(H,16,17)
InChIKeyBWEOIBWMBDJDBE-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.94
Rot. Bonds4

About 4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxylic acid

4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxylic acid (PubChem CID 54691740) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxylic acid
PubChem CID54691740
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxylic acid
SMILESO=C(O)C1=C(O)C(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C11H16N2O5/c14-9-8(11(16)17)7-13(10(9)15)2-1-12-3-5-18-6-4-12/h14H,1-7H2,(H,16,17)
InChIKeyBWEOIBWMBDJDBE-UHFFFAOYSA-N
XLogP-0.94
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxylic acid (CID 54691740) is 4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxylic acid is O=C(O)C1=C(O)C(=O)N(CCN2CCOCC2)C1.
What is the InChIKey of 4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxylic acid?
The InChIKey is BWEOIBWMBDJDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c14-9-8(11(16)17)7-13(10(9)15)2-1-12-3-5-18-6-4-12/h14H,1-7H2,(H,16,17).
What are the key properties of 4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxylic acid?
4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 54691740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).