benzyl 3-[5-oxo-2-(3-oxo-3-phenylmethoxypropyl)pyrrolidin-2-yl]propanoate

C24H27NO5 — CID 13306704

IUPACbenzyl 3-[5-oxo-2-(3-oxo-3-phenylmethoxypropyl)pyrrolidin-2-yl]propanoate
SMILESO=C1CCC(CCC(=O)OCc2ccccc2)(CCC(=O)OCc2ccccc2)N1
InChIInChI=1S/C24H27NO5/c26-21-11-14-24(25-21,15-12-22(27)29-17-19-7-3-1-4-8-19)16-13-23(28)30-18-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,25,26)
InChIKeyQAJHUEFPRHQSBQ-UHFFFAOYSA-N
MW409.48 g/mol
LogP3.68
Rot. Bonds10

About benzyl 3-[5-oxo-2-(3-oxo-3-phenylmethoxypropyl)pyrrolidin-2-yl]propanoate

benzyl 3-[5-oxo-2-(3-oxo-3-phenylmethoxypropyl)pyrrolidin-2-yl]propanoate (PubChem CID 13306704) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is benzyl 3-[5-oxo-2-(3-oxo-3-phenylmethoxypropyl)pyrrolidin-2-yl]propanoate.

Molecular Properties

Compound Namebenzyl 3-[5-oxo-2-(3-oxo-3-phenylmethoxypropyl)pyrrolidin-2-yl]propanoate
PubChem CID13306704
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Namebenzyl 3-[5-oxo-2-(3-oxo-3-phenylmethoxypropyl)pyrrolidin-2-yl]propanoate
SMILESO=C1CCC(CCC(=O)OCc2ccccc2)(CCC(=O)OCc2ccccc2)N1
InChIInChI=1S/C24H27NO5/c26-21-11-14-24(25-21,15-12-22(27)29-17-19-7-3-1-4-8-19)16-13-23(28)30-18-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,25,26)
InChIKeyQAJHUEFPRHQSBQ-UHFFFAOYSA-N
XLogP3.68
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-[5-oxo-2-(3-oxo-3-phenylmethoxypropyl)pyrrolidin-2-yl]propanoate?
The IUPAC name of benzyl 3-[5-oxo-2-(3-oxo-3-phenylmethoxypropyl)pyrrolidin-2-yl]propanoate (CID 13306704) is benzyl 3-[5-oxo-2-(3-oxo-3-phenylmethoxypropyl)pyrrolidin-2-yl]propanoate.
What is the SMILES notation for benzyl 3-[5-oxo-2-(3-oxo-3-phenylmethoxypropyl)pyrrolidin-2-yl]propanoate?
The canonical SMILES for benzyl 3-[5-oxo-2-(3-oxo-3-phenylmethoxypropyl)pyrrolidin-2-yl]propanoate is O=C1CCC(CCC(=O)OCc2ccccc2)(CCC(=O)OCc2ccccc2)N1.
What is the InChIKey of benzyl 3-[5-oxo-2-(3-oxo-3-phenylmethoxypropyl)pyrrolidin-2-yl]propanoate?
The InChIKey is QAJHUEFPRHQSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c26-21-11-14-24(25-21,15-12-22(27)29-17-19-7-3-1-4-8-19)16-13-23(28)30-18-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,25,26).
What are the key properties of benzyl 3-[5-oxo-2-(3-oxo-3-phenylmethoxypropyl)pyrrolidin-2-yl]propanoate?
benzyl 3-[5-oxo-2-(3-oxo-3-phenylmethoxypropyl)pyrrolidin-2-yl]propanoate has a molecular weight of 409.48 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[5-oxo-2-(3-oxo-3-phenylmethoxypropyl)pyrrolidin-2-yl]propanoate is sourced from PubChem (CID 13306704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).