(2,5-dioxopyrrolidin-1-yl) (2S)-2-(6-ethylnaphthalen-2-yl)propanoate

C19H19NO4 — CID 155282634

IUPAC(2,5-dioxopyrrolidin-1-yl) (2S)-2-(6-ethylnaphthalen-2-yl)propanoate
SMILESCCc1ccc2cc([C@H](C)C(=O)ON3C(=O)CCC3=O)ccc2c1
InChIInChI=1S/C19H19NO4/c1-3-13-4-5-16-11-14(6-7-15(16)10-13)12(2)19(23)24-20-17(21)8-9-18(20)22/h4-7,10-12H,3,8-9H2,1-2H3/t12-/m0/s1
InChIKeyJQMUBHWMCWZMBW-LBPRGKRZSA-N
MW325.36 g/mol
LogP3.11
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) (2S)-2-(6-ethylnaphthalen-2-yl)propanoate

(2,5-dioxopyrrolidin-1-yl) (2S)-2-(6-ethylnaphthalen-2-yl)propanoate (PubChem CID 155282634) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (2S)-2-(6-ethylnaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (2S)-2-(6-ethylnaphthalen-2-yl)propanoate
PubChem CID155282634
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (2S)-2-(6-ethylnaphthalen-2-yl)propanoate
SMILESCCc1ccc2cc([C@H](C)C(=O)ON3C(=O)CCC3=O)ccc2c1
InChIInChI=1S/C19H19NO4/c1-3-13-4-5-16-11-14(6-7-15(16)10-13)12(2)19(23)24-20-17(21)8-9-18(20)22/h4-7,10-12H,3,8-9H2,1-2H3/t12-/m0/s1
InChIKeyJQMUBHWMCWZMBW-LBPRGKRZSA-N
XLogP3.11
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 10518539
(2S)-2-(6-ethylnaphthalen-2-yl)propanoic acid
CID 149459018
(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 122592307
(2R)-2-(6-ethylnaphthalen-2-yl)hexan-3-one
CID 139352321
(2,5-dioxopyrrolidin-1-yl) 4-ethylbenzoate;ethane
CID 172600342
carbon monoxide;ethanol;2-ethyl-6-methylnaphthalene;ethyl 2-(6-methylnaphthalen-2-yl)propanoate;2-(6-methylnaphthalen-2-yl)propanoic acid
CID 159779933
(2,5-dioxopyrrolidin-1-yl) 4-[(3-ethylphenyl)methyl]benzoate
CID 138460094
2-[6-(methoxymethyl)naphthalen-2-yl]propanoyl chloride
CID 143282604
1-hydroxypyrrolidine-2,5-dione;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 131744188
(3-ethyl-5-hydroxyphenyl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 89034845
1-(6-ethylnaphthalen-2-yl)ethanone
CID 23046884
(2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxyphenoxy)-2-methylpropanoate;ethane
CID 143259221

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2S)-2-(6-ethylnaphthalen-2-yl)propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2S)-2-(6-ethylnaphthalen-2-yl)propanoate (CID 155282634) is (2,5-dioxopyrrolidin-1-yl) (2S)-2-(6-ethylnaphthalen-2-yl)propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (2S)-2-(6-ethylnaphthalen-2-yl)propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (2S)-2-(6-ethylnaphthalen-2-yl)propanoate is CCc1ccc2cc([C@H](C)C(=O)ON3C(=O)CCC3=O)ccc2c1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (2S)-2-(6-ethylnaphthalen-2-yl)propanoate?
The InChIKey is JQMUBHWMCWZMBW-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19NO4/c1-3-13-4-5-16-11-14(6-7-15(16)10-13)12(2)19(23)24-20-17(21)8-9-18(20)22/h4-7,10-12H,3,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (2S)-2-(6-ethylnaphthalen-2-yl)propanoate?
(2,5-dioxopyrrolidin-1-yl) (2S)-2-(6-ethylnaphthalen-2-yl)propanoate has a molecular weight of 325.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (2S)-2-(6-ethylnaphthalen-2-yl)propanoate is sourced from PubChem (CID 155282634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).