ethyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylcarbamoylamino]acetate

C19H20N4O7 — CID 10295370

IUPACethyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C19H20N4O7/c1-2-30-14(25)9-21-19(29)20-8-10-4-3-5-11-15(10)18(28)23(17(11)27)12-6-7-13(24)22-16(12)26/h3-5,12H,2,6-9H2,1H3,(H2,20,21,29)(H,22,24,26)
InChIKeyOMDPFAQFGCNOQD-UHFFFAOYSA-N
MW416.39 g/mol
LogP-0.55
Rot. Bonds6

About ethyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylcarbamoylamino]acetate

ethyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylcarbamoylamino]acetate (PubChem CID 10295370) has the molecular formula C19H20N4O7 and a molecular weight of 416.39 g/mol. Its IUPAC name is ethyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylcarbamoylamino]acetate
PubChem CID10295370
Molecular FormulaC19H20N4O7
Molecular Weight416.39 g/mol
Exact Mass416.13
IUPAC Nameethyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C19H20N4O7/c1-2-30-14(25)9-21-19(29)20-8-10-4-3-5-11-15(10)18(28)23(17(11)27)12-6-7-13(24)22-16(12)26/h3-5,12H,2,6-9H2,1H3,(H2,20,21,29)(H,22,24,26)
InChIKeyOMDPFAQFGCNOQD-UHFFFAOYSA-N
XLogP-0.55
TPSA150.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylcarbamoylamino]acetate (CID 10295370) is ethyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of ethyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylcarbamoylamino]acetate?
The InChIKey is OMDPFAQFGCNOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O7/c1-2-30-14(25)9-21-19(29)20-8-10-4-3-5-11-15(10)18(28)23(17(11)27)12-6-7-13(24)22-16(12)26/h3-5,12H,2,6-9H2,1H3,(H2,20,21,29)(H,22,24,26).
What are the key properties of ethyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylcarbamoylamino]acetate?
ethyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylcarbamoylamino]acetate has a molecular weight of 416.39 g/mol, XLogP of -0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylcarbamoylamino]acetate is sourced from PubChem (CID 10295370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).