ethyl 5-hydroxy-1-(2-methylpropyl)pyrrolidine-3-carboxylate

C11H21NO3 — CID 123495191

IUPACethyl 5-hydroxy-1-(2-methylpropyl)pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CC(O)N(CC(C)C)C1
InChIInChI=1S/C11H21NO3/c1-4-15-11(14)9-5-10(13)12(7-9)6-8(2)3/h8-10,13H,4-7H2,1-3H3
InChIKeyMLMFRESHJDFRPH-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.85
Rot. Bonds4

About ethyl 5-hydroxy-1-(2-methylpropyl)pyrrolidine-3-carboxylate

ethyl 5-hydroxy-1-(2-methylpropyl)pyrrolidine-3-carboxylate (PubChem CID 123495191) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 5-hydroxy-1-(2-methylpropyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-1-(2-methylpropyl)pyrrolidine-3-carboxylate
PubChem CID123495191
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 5-hydroxy-1-(2-methylpropyl)pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CC(O)N(CC(C)C)C1
InChIInChI=1S/C11H21NO3/c1-4-15-11(14)9-5-10(13)12(7-9)6-8(2)3/h8-10,13H,4-7H2,1-3H3
InChIKeyMLMFRESHJDFRPH-UHFFFAOYSA-N
XLogP0.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 5-hydroxy-1-(2-methylpropyl)pyrrolidine-3-carboxylate 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 5-hydroxy-1-(2-methylpropyl)pyrrolidine-3-carboxylate?
The IUPAC name of ethyl 5-hydroxy-1-(2-methylpropyl)pyrrolidine-3-carboxylate (CID 123495191) is ethyl 5-hydroxy-1-(2-methylpropyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-1-(2-methylpropyl)pyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-1-(2-methylpropyl)pyrrolidine-3-carboxylate is CCOC(=O)C1CC(O)N(CC(C)C)C1.
What is the InChIKey of ethyl 5-hydroxy-1-(2-methylpropyl)pyrrolidine-3-carboxylate?
The InChIKey is MLMFRESHJDFRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-15-11(14)9-5-10(13)12(7-9)6-8(2)3/h8-10,13H,4-7H2,1-3H3.
What are the key properties of ethyl 5-hydroxy-1-(2-methylpropyl)pyrrolidine-3-carboxylate?
ethyl 5-hydroxy-1-(2-methylpropyl)pyrrolidine-3-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-1-(2-methylpropyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 123495191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).