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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-(2,5-dioxoimidazolidin-1-yl)acetate
CID 2512407
Ethyl 1-methyl-2,5-dioxoimidazolidine-4-carboxylate
CID 295870
Methyl 2-amino-3-(2,4-dioxoimidazolidin-1-yl)propanoate
CID 84035111
methyl (4S)-1-acetyl-2-oxoimidazolidine-4-carboxylate
CID 385474
methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)propanoyl]-1-(2,2,2-trifluoroethyl)imidazolidine-4-carboxylate
CID 67522561
Methyl 3-[2-(methoxycarbonylamino)acetyl]-1-(2,2,2-trifluoroethyl)imidazolidine-4-carboxylate
CID 90842417
Methyl (4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 3164174
Ethyl (4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)acetate
CID 14678127
Ethyl 2-(2-tert-butyl-5-oxoimidazolidin-1-yl)acetate
CID 134894331
Ethyl 2-(3-carbamoyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 155490233
Ethyl 2-({[3-(2-amino-2-oxoethyl)-2,4-dioxoimidazolidin-1-yl]carbonyl}amino)acetate
CID 155490328
Ethyl 2-{3-[(2-amino-2-oxoethyl)carbamoyl]-2,5-dioxoimidazolidin-1-yl}acetate
CID 155490329

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).