ethyl 3-hydroxy-3-pyrrol-1-ylpentanoate

C11H17NO3 — CID 14005042

IUPACethyl 3-hydroxy-3-pyrrol-1-ylpentanoate
SMILESCCOC(=O)CC(O)(CC)n1cccc1
InChIInChI=1S/C11H17NO3/c1-3-11(14,9-10(13)15-4-2)12-7-5-6-8-12/h5-8,14H,3-4,9H2,1-2H3
InChIKeyKUVNNZAIAXXMMC-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.50
Rot. Bonds5

About ethyl 3-hydroxy-3-pyrrol-1-ylpentanoate

ethyl 3-hydroxy-3-pyrrol-1-ylpentanoate (PubChem CID 14005042) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 3-hydroxy-3-pyrrol-1-ylpentanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-3-pyrrol-1-ylpentanoate
PubChem CID14005042
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl 3-hydroxy-3-pyrrol-1-ylpentanoate
SMILESCCOC(=O)CC(O)(CC)n1cccc1
InChIInChI=1S/C11H17NO3/c1-3-11(14,9-10(13)15-4-2)12-7-5-6-8-12/h5-8,14H,3-4,9H2,1-2H3
InChIKeyKUVNNZAIAXXMMC-UHFFFAOYSA-N
XLogP1.50
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-hydroxy-3-pyrrol-1-ylpentanoate 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 ethyl 3-hydroxy-3-pyrrol-1-ylpentanoate?
The IUPAC name of ethyl 3-hydroxy-3-pyrrol-1-ylpentanoate (CID 14005042) is ethyl 3-hydroxy-3-pyrrol-1-ylpentanoate.
What is the SMILES notation for ethyl 3-hydroxy-3-pyrrol-1-ylpentanoate?
The canonical SMILES for ethyl 3-hydroxy-3-pyrrol-1-ylpentanoate is CCOC(=O)CC(O)(CC)n1cccc1.
What is the InChIKey of ethyl 3-hydroxy-3-pyrrol-1-ylpentanoate?
The InChIKey is KUVNNZAIAXXMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-11(14,9-10(13)15-4-2)12-7-5-6-8-12/h5-8,14H,3-4,9H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-3-pyrrol-1-ylpentanoate?
ethyl 3-hydroxy-3-pyrrol-1-ylpentanoate has a molecular weight of 211.26 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-3-pyrrol-1-ylpentanoate is sourced from PubChem (CID 14005042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).