1-(5-oxo-1-propanoylpyrrolidin-2-yl)ethyl propanoate

C12H19NO4 — CID 19861409

IUPAC1-(5-oxo-1-propanoylpyrrolidin-2-yl)ethyl propanoate
SMILESCCC(=O)OC(C)C1CCC(=O)N1C(=O)CC
InChIInChI=1S/C12H19NO4/c1-4-10(14)13-9(6-7-11(13)15)8(3)17-12(16)5-2/h8-9H,4-7H2,1-3H3
InChIKeyKMSQXNIJYDJCTI-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.26
Rot. Bonds4

About 1-(5-oxo-1-propanoylpyrrolidin-2-yl)ethyl propanoate

1-(5-oxo-1-propanoylpyrrolidin-2-yl)ethyl propanoate (PubChem CID 19861409) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(5-oxo-1-propanoylpyrrolidin-2-yl)ethyl propanoate.

Molecular Properties

Compound Name1-(5-oxo-1-propanoylpyrrolidin-2-yl)ethyl propanoate
PubChem CID19861409
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1-(5-oxo-1-propanoylpyrrolidin-2-yl)ethyl propanoate
SMILESCCC(=O)OC(C)C1CCC(=O)N1C(=O)CC
InChIInChI=1S/C12H19NO4/c1-4-10(14)13-9(6-7-11(13)15)8(3)17-12(16)5-2/h8-9H,4-7H2,1-3H3
InChIKeyKMSQXNIJYDJCTI-UHFFFAOYSA-N
XLogP1.26
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-oxo-1-propanoylpyrrolidin-2-yl)ethyl propanoate?
The IUPAC name of 1-(5-oxo-1-propanoylpyrrolidin-2-yl)ethyl propanoate (CID 19861409) is 1-(5-oxo-1-propanoylpyrrolidin-2-yl)ethyl propanoate.
What is the SMILES notation for 1-(5-oxo-1-propanoylpyrrolidin-2-yl)ethyl propanoate?
The canonical SMILES for 1-(5-oxo-1-propanoylpyrrolidin-2-yl)ethyl propanoate is CCC(=O)OC(C)C1CCC(=O)N1C(=O)CC.
What is the InChIKey of 1-(5-oxo-1-propanoylpyrrolidin-2-yl)ethyl propanoate?
The InChIKey is KMSQXNIJYDJCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-4-10(14)13-9(6-7-11(13)15)8(3)17-12(16)5-2/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(5-oxo-1-propanoylpyrrolidin-2-yl)ethyl propanoate?
1-(5-oxo-1-propanoylpyrrolidin-2-yl)ethyl propanoate has a molecular weight of 241.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxo-1-propanoylpyrrolidin-2-yl)ethyl propanoate is sourced from PubChem (CID 19861409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).