methyl 3-(2-hydroxy-5-oxo-2-phenylpyrrol-1-yl)propanoate

C14H15NO4 — CID 57090113

IUPACmethyl 3-(2-hydroxy-5-oxo-2-phenylpyrrol-1-yl)propanoate
SMILESCOC(=O)CCN1C(=O)C=CC1(O)c1ccccc1
InChIInChI=1S/C14H15NO4/c1-19-13(17)8-10-15-12(16)7-9-14(15,18)11-5-3-2-4-6-11/h2-7,9,18H,8,10H2,1H3
InChIKeyZNCHMRWEFGOZJE-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.79
Rot. Bonds4

About methyl 3-(2-hydroxy-5-oxo-2-phenylpyrrol-1-yl)propanoate

methyl 3-(2-hydroxy-5-oxo-2-phenylpyrrol-1-yl)propanoate (PubChem CID 57090113) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 3-(2-hydroxy-5-oxo-2-phenylpyrrol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-hydroxy-5-oxo-2-phenylpyrrol-1-yl)propanoate
PubChem CID57090113
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namemethyl 3-(2-hydroxy-5-oxo-2-phenylpyrrol-1-yl)propanoate
SMILESCOC(=O)CCN1C(=O)C=CC1(O)c1ccccc1
InChIInChI=1S/C14H15NO4/c1-19-13(17)8-10-15-12(16)7-9-14(15,18)11-5-3-2-4-6-11/h2-7,9,18H,8,10H2,1H3
InChIKeyZNCHMRWEFGOZJE-UHFFFAOYSA-N
XLogP0.79
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(2-hydroxy-5-oxo-2-phenylpyrrol-1-yl)propanoate 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 methyl 3-(2-hydroxy-5-oxo-2-phenylpyrrol-1-yl)propanoate?
The IUPAC name of methyl 3-(2-hydroxy-5-oxo-2-phenylpyrrol-1-yl)propanoate (CID 57090113) is methyl 3-(2-hydroxy-5-oxo-2-phenylpyrrol-1-yl)propanoate.
What is the SMILES notation for methyl 3-(2-hydroxy-5-oxo-2-phenylpyrrol-1-yl)propanoate?
The canonical SMILES for methyl 3-(2-hydroxy-5-oxo-2-phenylpyrrol-1-yl)propanoate is COC(=O)CCN1C(=O)C=CC1(O)c1ccccc1.
What is the InChIKey of methyl 3-(2-hydroxy-5-oxo-2-phenylpyrrol-1-yl)propanoate?
The InChIKey is ZNCHMRWEFGOZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-19-13(17)8-10-15-12(16)7-9-14(15,18)11-5-3-2-4-6-11/h2-7,9,18H,8,10H2,1H3.
What are the key properties of methyl 3-(2-hydroxy-5-oxo-2-phenylpyrrol-1-yl)propanoate?
methyl 3-(2-hydroxy-5-oxo-2-phenylpyrrol-1-yl)propanoate has a molecular weight of 261.28 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-hydroxy-5-oxo-2-phenylpyrrol-1-yl)propanoate is sourced from PubChem (CID 57090113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).