2-hydroxypropyl 2-methyl-3-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propanoate

C18H23NO5 — CID 20821570

IUPAC2-hydroxypropyl 2-methyl-3-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propanoate
SMILESCC(O)COC(=O)C(C)CC1C(=O)N(c2ccccc2)C(=O)C1C
InChIInChI=1S/C18H23NO5/c1-11(18(23)24-10-12(2)20)9-15-13(3)16(21)19(17(15)22)14-7-5-4-6-8-14/h4-8,11-13,15,20H,9-10H2,1-3H3
InChIKeyWZMUEXFSWRXLEL-UHFFFAOYSA-N
MW333.38 g/mol
LogP1.76
Rot. Bonds6

About 2-hydroxypropyl 2-methyl-3-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propanoate

2-hydroxypropyl 2-methyl-3-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propanoate (PubChem CID 20821570) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-hydroxypropyl 2-methyl-3-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propanoate.

Molecular Properties

Compound Name2-hydroxypropyl 2-methyl-3-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propanoate
PubChem CID20821570
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name2-hydroxypropyl 2-methyl-3-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propanoate
SMILESCC(O)COC(=O)C(C)CC1C(=O)N(c2ccccc2)C(=O)C1C
InChIInChI=1S/C18H23NO5/c1-11(18(23)24-10-12(2)20)9-15-13(3)16(21)19(17(15)22)14-7-5-4-6-8-14/h4-8,11-13,15,20H,9-10H2,1-3H3
InChIKeyWZMUEXFSWRXLEL-UHFFFAOYSA-N
XLogP1.76
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl 2-methyl-3-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propanoate?
The IUPAC name of 2-hydroxypropyl 2-methyl-3-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propanoate (CID 20821570) is 2-hydroxypropyl 2-methyl-3-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propanoate.
What is the SMILES notation for 2-hydroxypropyl 2-methyl-3-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propanoate?
The canonical SMILES for 2-hydroxypropyl 2-methyl-3-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propanoate is CC(O)COC(=O)C(C)CC1C(=O)N(c2ccccc2)C(=O)C1C.
What is the InChIKey of 2-hydroxypropyl 2-methyl-3-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propanoate?
The InChIKey is WZMUEXFSWRXLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-11(18(23)24-10-12(2)20)9-15-13(3)16(21)19(17(15)22)14-7-5-4-6-8-14/h4-8,11-13,15,20H,9-10H2,1-3H3.
What are the key properties of 2-hydroxypropyl 2-methyl-3-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propanoate?
2-hydroxypropyl 2-methyl-3-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propanoate has a molecular weight of 333.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl 2-methyl-3-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propanoate is sourced from PubChem (CID 20821570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).