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

C10H15N3O5 — CID 54691768

IUPAC4-hydroxy-1-[2-[methyl(methylcarbamoyl)amino]ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid
SMILESCNC(=O)N(C)CCN1CC(C(=O)O)=C(O)C1=O
InChIInChI=1S/C10H15N3O5/c1-11-10(18)12(2)3-4-13-5-6(9(16)17)7(14)8(13)15/h14H,3-5H2,1-2H3,(H,11,18)(H,16,17)
InChIKeyGFJNRVAEJLFTKO-UHFFFAOYSA-N
MW257.25 g/mol
LogP-1.00
Rot. Bonds4

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

4-hydroxy-1-[2-[methyl(methylcarbamoyl)amino]ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid (PubChem CID 54691768) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-hydroxy-1-[2-[methyl(methylcarbamoyl)amino]ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-[methyl(methylcarbamoyl)amino]ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid
PubChem CID54691768
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name4-hydroxy-1-[2-[methyl(methylcarbamoyl)amino]ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid
SMILESCNC(=O)N(C)CCN1CC(C(=O)O)=C(O)C1=O
InChIInChI=1S/C10H15N3O5/c1-11-10(18)12(2)3-4-13-5-6(9(16)17)7(14)8(13)15/h14H,3-5H2,1-2H3,(H,11,18)(H,16,17)
InChIKeyGFJNRVAEJLFTKO-UHFFFAOYSA-N
XLogP-1.00
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-1-[2-[methyl(methylcarbamoyl)amino]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-[methyl(methylcarbamoyl)amino]ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-[methyl(methylcarbamoyl)amino]ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid (CID 54691768) is 4-hydroxy-1-[2-[methyl(methylcarbamoyl)amino]ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-[methyl(methylcarbamoyl)amino]ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-[methyl(methylcarbamoyl)amino]ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid is CNC(=O)N(C)CCN1CC(C(=O)O)=C(O)C1=O.
What is the InChIKey of 4-hydroxy-1-[2-[methyl(methylcarbamoyl)amino]ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid?
The InChIKey is GFJNRVAEJLFTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c1-11-10(18)12(2)3-4-13-5-6(9(16)17)7(14)8(13)15/h14H,3-5H2,1-2H3,(H,11,18)(H,16,17).
What are the key properties of 4-hydroxy-1-[2-[methyl(methylcarbamoyl)amino]ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid?
4-hydroxy-1-[2-[methyl(methylcarbamoyl)amino]ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of -1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-[methyl(methylcarbamoyl)amino]ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 54691768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).