(2-oxopyrrolidin-3-yl)methyl 5-oxo-5-(2,4,6-trimethylphenyl)pentanoate

C19H25NO4 — CID 166234691

IUPAC(2-oxopyrrolidin-3-yl)methyl 5-oxo-5-(2,4,6-trimethylphenyl)pentanoate
SMILESCc1cc(C)c(C(=O)CCCC(=O)OCC2CCNC2=O)c(C)c1
InChIInChI=1S/C19H25NO4/c1-12-9-13(2)18(14(3)10-12)16(21)5-4-6-17(22)24-11-15-7-8-20-19(15)23/h9-10,15H,4-8,11H2,1-3H3,(H,20,23)
InChIKeyYCGIASONWAYTNK-UHFFFAOYSA-N
MW331.41 g/mol
LogP2.64
Rot. Bonds7

About (2-oxopyrrolidin-3-yl)methyl 5-oxo-5-(2,4,6-trimethylphenyl)pentanoate

(2-oxopyrrolidin-3-yl)methyl 5-oxo-5-(2,4,6-trimethylphenyl)pentanoate (PubChem CID 166234691) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is (2-oxopyrrolidin-3-yl)methyl 5-oxo-5-(2,4,6-trimethylphenyl)pentanoate.

Molecular Properties

Compound Name(2-oxopyrrolidin-3-yl)methyl 5-oxo-5-(2,4,6-trimethylphenyl)pentanoate
PubChem CID166234691
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name(2-oxopyrrolidin-3-yl)methyl 5-oxo-5-(2,4,6-trimethylphenyl)pentanoate
SMILESCc1cc(C)c(C(=O)CCCC(=O)OCC2CCNC2=O)c(C)c1
InChIInChI=1S/C19H25NO4/c1-12-9-13(2)18(14(3)10-12)16(21)5-4-6-17(22)24-11-15-7-8-20-19(15)23/h9-10,15H,4-8,11H2,1-3H3,(H,20,23)
InChIKeyYCGIASONWAYTNK-UHFFFAOYSA-N
XLogP2.64
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxopyrrolidin-3-yl)methyl 5-oxo-5-(2,4,6-trimethylphenyl)pentanoate?
The IUPAC name of (2-oxopyrrolidin-3-yl)methyl 5-oxo-5-(2,4,6-trimethylphenyl)pentanoate (CID 166234691) is (2-oxopyrrolidin-3-yl)methyl 5-oxo-5-(2,4,6-trimethylphenyl)pentanoate.
What is the SMILES notation for (2-oxopyrrolidin-3-yl)methyl 5-oxo-5-(2,4,6-trimethylphenyl)pentanoate?
The canonical SMILES for (2-oxopyrrolidin-3-yl)methyl 5-oxo-5-(2,4,6-trimethylphenyl)pentanoate is Cc1cc(C)c(C(=O)CCCC(=O)OCC2CCNC2=O)c(C)c1.
What is the InChIKey of (2-oxopyrrolidin-3-yl)methyl 5-oxo-5-(2,4,6-trimethylphenyl)pentanoate?
The InChIKey is YCGIASONWAYTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-12-9-13(2)18(14(3)10-12)16(21)5-4-6-17(22)24-11-15-7-8-20-19(15)23/h9-10,15H,4-8,11H2,1-3H3,(H,20,23).
What are the key properties of (2-oxopyrrolidin-3-yl)methyl 5-oxo-5-(2,4,6-trimethylphenyl)pentanoate?
(2-oxopyrrolidin-3-yl)methyl 5-oxo-5-(2,4,6-trimethylphenyl)pentanoate has a molecular weight of 331.41 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopyrrolidin-3-yl)methyl 5-oxo-5-(2,4,6-trimethylphenyl)pentanoate is sourced from PubChem (CID 166234691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).