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

C14H23NO4 — CID 19861410

IUPAC1-(5-oxo-1-propanoylpyrrolidin-2-yl)butyl propanoate
SMILESCCCC(OC(=O)CC)C1CCC(=O)N1C(=O)CC
InChIInChI=1S/C14H23NO4/c1-4-7-11(19-14(18)6-3)10-8-9-13(17)15(10)12(16)5-2/h10-11H,4-9H2,1-3H3
InChIKeyKZZUWZJIXCQEHG-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.04
Rot. Bonds6

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

1-(5-oxo-1-propanoylpyrrolidin-2-yl)butyl propanoate (PubChem CID 19861410) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(5-oxo-1-propanoylpyrrolidin-2-yl)butyl propanoate.

Molecular Properties

Compound Name1-(5-oxo-1-propanoylpyrrolidin-2-yl)butyl propanoate
PubChem CID19861410
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-(5-oxo-1-propanoylpyrrolidin-2-yl)butyl propanoate
SMILESCCCC(OC(=O)CC)C1CCC(=O)N1C(=O)CC
InChIInChI=1S/C14H23NO4/c1-4-7-11(19-14(18)6-3)10-8-9-13(17)15(10)12(16)5-2/h10-11H,4-9H2,1-3H3
InChIKeyKZZUWZJIXCQEHG-UHFFFAOYSA-N
XLogP2.04
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.04
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)butyl propanoate?
The IUPAC name of 1-(5-oxo-1-propanoylpyrrolidin-2-yl)butyl propanoate (CID 19861410) is 1-(5-oxo-1-propanoylpyrrolidin-2-yl)butyl propanoate.
What is the SMILES notation for 1-(5-oxo-1-propanoylpyrrolidin-2-yl)butyl propanoate?
The canonical SMILES for 1-(5-oxo-1-propanoylpyrrolidin-2-yl)butyl propanoate is CCCC(OC(=O)CC)C1CCC(=O)N1C(=O)CC.
What is the InChIKey of 1-(5-oxo-1-propanoylpyrrolidin-2-yl)butyl propanoate?
The InChIKey is KZZUWZJIXCQEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-4-7-11(19-14(18)6-3)10-8-9-13(17)15(10)12(16)5-2/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(5-oxo-1-propanoylpyrrolidin-2-yl)butyl propanoate?
1-(5-oxo-1-propanoylpyrrolidin-2-yl)butyl propanoate has a molecular weight of 269.34 g/mol, XLogP of 2.04, 6 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)butyl propanoate is sourced from PubChem (CID 19861410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).