methyl 3-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate

C12H19N3O6 — CID 78959082

IUPACmethyl 3-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C12H19N3O6/c1-20-6-5-14(4-3-11(18)21-2)10(17)8-15-9(16)7-13-12(15)19/h3-8H2,1-2H3,(H,13,19)
InChIKeyDIRYRSYWZBLEAO-UHFFFAOYSA-N
MW301.30 g/mol
LogP-1.42
Rot. Bonds8

About methyl 3-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate

methyl 3-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate (PubChem CID 78959082) has the molecular formula C12H19N3O6 and a molecular weight of 301.30 g/mol. Its IUPAC name is methyl 3-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate
PubChem CID78959082
Molecular FormulaC12H19N3O6
Molecular Weight301.30 g/mol
Exact Mass301.13
IUPAC Namemethyl 3-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C12H19N3O6/c1-20-6-5-14(4-3-11(18)21-2)10(17)8-15-9(16)7-13-12(15)19/h3-8H2,1-2H3,(H,13,19)
InChIKeyDIRYRSYWZBLEAO-UHFFFAOYSA-N
XLogP-1.42
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 5-1.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate (CID 78959082) is methyl 3-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)C(=O)CN1C(=O)CNC1=O.
What is the InChIKey of methyl 3-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate?
The InChIKey is DIRYRSYWZBLEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O6/c1-20-6-5-14(4-3-11(18)21-2)10(17)8-15-9(16)7-13-12(15)19/h3-8H2,1-2H3,(H,13,19).
What are the key properties of methyl 3-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate?
methyl 3-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate has a molecular weight of 301.30 g/mol, XLogP of -1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 78959082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).