methyl (2R)-2-(2,6-dioxopiperidin-1-yl)-2-phenylacetate

C14H15NO4 — CID 134918208

IUPACmethyl (2R)-2-(2,6-dioxopiperidin-1-yl)-2-phenylacetate
SMILESCOC(=O)[C@@H](c1ccccc1)N1C(=O)CCCC1=O
InChIInChI=1S/C14H15NO4/c1-19-14(18)13(10-6-3-2-4-7-10)15-11(16)8-5-9-12(15)17/h2-4,6-7,13H,5,8-9H2,1H3/t13-/m1/s1
InChIKeyUUYUHPUNRXAOGA-CYBMUJFWSA-N
MW261.28 g/mol
LogP1.44
Rot. Bonds3

About methyl (2R)-2-(2,6-dioxopiperidin-1-yl)-2-phenylacetate

methyl (2R)-2-(2,6-dioxopiperidin-1-yl)-2-phenylacetate (PubChem CID 134918208) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl (2R)-2-(2,6-dioxopiperidin-1-yl)-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-(2,6-dioxopiperidin-1-yl)-2-phenylacetate
PubChem CID134918208
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namemethyl (2R)-2-(2,6-dioxopiperidin-1-yl)-2-phenylacetate
SMILESCOC(=O)[C@@H](c1ccccc1)N1C(=O)CCCC1=O
InChIInChI=1S/C14H15NO4/c1-19-14(18)13(10-6-3-2-4-7-10)15-11(16)8-5-9-12(15)17/h2-4,6-7,13H,5,8-9H2,1H3/t13-/m1/s1
InChIKeyUUYUHPUNRXAOGA-CYBMUJFWSA-N
XLogP1.44
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2,6-dioxopiperidin-1-yl)-2-phenylacetate?
The IUPAC name of methyl (2R)-2-(2,6-dioxopiperidin-1-yl)-2-phenylacetate (CID 134918208) is methyl (2R)-2-(2,6-dioxopiperidin-1-yl)-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-(2,6-dioxopiperidin-1-yl)-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-(2,6-dioxopiperidin-1-yl)-2-phenylacetate is COC(=O)[C@@H](c1ccccc1)N1C(=O)CCCC1=O.
What is the InChIKey of methyl (2R)-2-(2,6-dioxopiperidin-1-yl)-2-phenylacetate?
The InChIKey is UUYUHPUNRXAOGA-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15NO4/c1-19-14(18)13(10-6-3-2-4-7-10)15-11(16)8-5-9-12(15)17/h2-4,6-7,13H,5,8-9H2,1H3/t13-/m1/s1.
What are the key properties of methyl (2R)-2-(2,6-dioxopiperidin-1-yl)-2-phenylacetate?
methyl (2R)-2-(2,6-dioxopiperidin-1-yl)-2-phenylacetate has a molecular weight of 261.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2,6-dioxopiperidin-1-yl)-2-phenylacetate is sourced from PubChem (CID 134918208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).