ethyl 2-[(4R)-2-oxo-4-pentylpyrrolidin-1-yl]acetate

C13H23NO3 — CID 68572704

IUPACethyl 2-[(4R)-2-oxo-4-pentylpyrrolidin-1-yl]acetate
SMILESCCCCC[C@@H]1CC(=O)N(CC(=O)OCC)C1
InChIInChI=1S/C13H23NO3/c1-3-5-6-7-11-8-12(15)14(9-11)10-13(16)17-4-2/h11H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyGKFQIHOGXDZSFL-LLVKDONJSA-N
MW241.33 g/mol
LogP1.98
Rot. Bonds7

About ethyl 2-[(4R)-2-oxo-4-pentylpyrrolidin-1-yl]acetate

ethyl 2-[(4R)-2-oxo-4-pentylpyrrolidin-1-yl]acetate (PubChem CID 68572704) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl 2-[(4R)-2-oxo-4-pentylpyrrolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4R)-2-oxo-4-pentylpyrrolidin-1-yl]acetate
PubChem CID68572704
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl 2-[(4R)-2-oxo-4-pentylpyrrolidin-1-yl]acetate
SMILESCCCCC[C@@H]1CC(=O)N(CC(=O)OCC)C1
InChIInChI=1S/C13H23NO3/c1-3-5-6-7-11-8-12(15)14(9-11)10-13(16)17-4-2/h11H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyGKFQIHOGXDZSFL-LLVKDONJSA-N
XLogP1.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4R)-2-oxo-4-pentylpyrrolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[(4R)-2-oxo-4-pentylpyrrolidin-1-yl]acetate (CID 68572704) is ethyl 2-[(4R)-2-oxo-4-pentylpyrrolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(4R)-2-oxo-4-pentylpyrrolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[(4R)-2-oxo-4-pentylpyrrolidin-1-yl]acetate is CCCCC[C@@H]1CC(=O)N(CC(=O)OCC)C1.
What is the InChIKey of ethyl 2-[(4R)-2-oxo-4-pentylpyrrolidin-1-yl]acetate?
The InChIKey is GKFQIHOGXDZSFL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-5-6-7-11-8-12(15)14(9-11)10-13(16)17-4-2/h11H,3-10H2,1-2H3/t11-/m1/s1.
What are the key properties of ethyl 2-[(4R)-2-oxo-4-pentylpyrrolidin-1-yl]acetate?
ethyl 2-[(4R)-2-oxo-4-pentylpyrrolidin-1-yl]acetate has a molecular weight of 241.33 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4R)-2-oxo-4-pentylpyrrolidin-1-yl]acetate is sourced from PubChem (CID 68572704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).