benzyl 3-(5-oxopyrrolidin-2-yl)propanoate

C14H17NO3 — CID 15588871

IUPACbenzyl 3-(5-oxopyrrolidin-2-yl)propanoate
SMILESO=C1CCC(CCC(=O)OCc2ccccc2)N1
InChIInChI=1S/C14H17NO3/c16-13-8-6-12(15-13)7-9-14(17)18-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)
InChIKeyDFIPKFMAIKHPTC-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.79
Rot. Bonds5

About benzyl 3-(5-oxopyrrolidin-2-yl)propanoate

benzyl 3-(5-oxopyrrolidin-2-yl)propanoate (PubChem CID 15588871) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is benzyl 3-(5-oxopyrrolidin-2-yl)propanoate.

Molecular Properties

Compound Namebenzyl 3-(5-oxopyrrolidin-2-yl)propanoate
PubChem CID15588871
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namebenzyl 3-(5-oxopyrrolidin-2-yl)propanoate
SMILESO=C1CCC(CCC(=O)OCc2ccccc2)N1
InChIInChI=1S/C14H17NO3/c16-13-8-6-12(15-13)7-9-14(17)18-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)
InChIKeyDFIPKFMAIKHPTC-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-(5-oxopyrrolidin-2-yl)propanoate?
The IUPAC name of benzyl 3-(5-oxopyrrolidin-2-yl)propanoate (CID 15588871) is benzyl 3-(5-oxopyrrolidin-2-yl)propanoate.
What is the SMILES notation for benzyl 3-(5-oxopyrrolidin-2-yl)propanoate?
The canonical SMILES for benzyl 3-(5-oxopyrrolidin-2-yl)propanoate is O=C1CCC(CCC(=O)OCc2ccccc2)N1.
What is the InChIKey of benzyl 3-(5-oxopyrrolidin-2-yl)propanoate?
The InChIKey is DFIPKFMAIKHPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-13-8-6-12(15-13)7-9-14(17)18-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16).
What are the key properties of benzyl 3-(5-oxopyrrolidin-2-yl)propanoate?
benzyl 3-(5-oxopyrrolidin-2-yl)propanoate has a molecular weight of 247.29 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(5-oxopyrrolidin-2-yl)propanoate is sourced from PubChem (CID 15588871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).