ethyl 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetate

C14H25NO5 — CID 57297834

IUPACethyl 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(CCC(C)C(O)CO)C1=O
InChIInChI=1S/C14H25NO5/c1-3-20-13(18)8-15-7-6-11(14(15)19)5-4-10(2)12(17)9-16/h10-12,16-17H,3-9H2,1-2H3
InChIKeyMLUQXTBHFCLOMN-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.17
Rot. Bonds8

About ethyl 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetate

ethyl 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetate (PubChem CID 57297834) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetate
PubChem CID57297834
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Nameethyl 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(CCC(C)C(O)CO)C1=O
InChIInChI=1S/C14H25NO5/c1-3-20-13(18)8-15-7-6-11(14(15)19)5-4-10(2)12(17)9-16/h10-12,16-17H,3-9H2,1-2H3
InChIKeyMLUQXTBHFCLOMN-UHFFFAOYSA-N
XLogP0.17
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetate (CID 57297834) is ethyl 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetate is CCOC(=O)CN1CCC(CCC(C)C(O)CO)C1=O.
What is the InChIKey of ethyl 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetate?
The InChIKey is MLUQXTBHFCLOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-3-20-13(18)8-15-7-6-11(14(15)19)5-4-10(2)12(17)9-16/h10-12,16-17H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetate?
ethyl 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetate has a molecular weight of 287.36 g/mol, XLogP of 0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetate is sourced from PubChem (CID 57297834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).