ethyl (3R,4R)-3,4-dimethyl-5-oxo-5-pyrrolidin-1-ylpentanoate

C13H23NO3 — CID 134975912

IUPACethyl (3R,4R)-3,4-dimethyl-5-oxo-5-pyrrolidin-1-ylpentanoate
SMILESCCOC(=O)C[C@@H](C)[C@@H](C)C(=O)N1CCCC1
InChIInChI=1S/C13H23NO3/c1-4-17-12(15)9-10(2)11(3)13(16)14-7-5-6-8-14/h10-11H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyZBCBXYNOLQFRDL-GHMZBOCLSA-N
MW241.33 g/mol
LogP1.83
Rot. Bonds5

About ethyl (3R,4R)-3,4-dimethyl-5-oxo-5-pyrrolidin-1-ylpentanoate

ethyl (3R,4R)-3,4-dimethyl-5-oxo-5-pyrrolidin-1-ylpentanoate (PubChem CID 134975912) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl (3R,4R)-3,4-dimethyl-5-oxo-5-pyrrolidin-1-ylpentanoate.

Molecular Properties

Compound Nameethyl (3R,4R)-3,4-dimethyl-5-oxo-5-pyrrolidin-1-ylpentanoate
PubChem CID134975912
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl (3R,4R)-3,4-dimethyl-5-oxo-5-pyrrolidin-1-ylpentanoate
SMILESCCOC(=O)C[C@@H](C)[C@@H](C)C(=O)N1CCCC1
InChIInChI=1S/C13H23NO3/c1-4-17-12(15)9-10(2)11(3)13(16)14-7-5-6-8-14/h10-11H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyZBCBXYNOLQFRDL-GHMZBOCLSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4R)-3,4-dimethyl-5-oxo-5-pyrrolidin-1-ylpentanoate?
The IUPAC name of ethyl (3R,4R)-3,4-dimethyl-5-oxo-5-pyrrolidin-1-ylpentanoate (CID 134975912) is ethyl (3R,4R)-3,4-dimethyl-5-oxo-5-pyrrolidin-1-ylpentanoate.
What is the SMILES notation for ethyl (3R,4R)-3,4-dimethyl-5-oxo-5-pyrrolidin-1-ylpentanoate?
The canonical SMILES for ethyl (3R,4R)-3,4-dimethyl-5-oxo-5-pyrrolidin-1-ylpentanoate is CCOC(=O)C[C@@H](C)[C@@H](C)C(=O)N1CCCC1.
What is the InChIKey of ethyl (3R,4R)-3,4-dimethyl-5-oxo-5-pyrrolidin-1-ylpentanoate?
The InChIKey is ZBCBXYNOLQFRDL-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-17-12(15)9-10(2)11(3)13(16)14-7-5-6-8-14/h10-11H,4-9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of ethyl (3R,4R)-3,4-dimethyl-5-oxo-5-pyrrolidin-1-ylpentanoate?
ethyl (3R,4R)-3,4-dimethyl-5-oxo-5-pyrrolidin-1-ylpentanoate has a molecular weight of 241.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4R)-3,4-dimethyl-5-oxo-5-pyrrolidin-1-ylpentanoate is sourced from PubChem (CID 134975912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).