ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethylamino]acetate

C9H17N3O3 — CID 60812530

IUPACethyl 2-[2-(2-oxoimidazolidin-1-yl)ethylamino]acetate
SMILESCCOC(=O)CNCCN1CCNC1=O
InChIInChI=1S/C9H17N3O3/c1-2-15-8(13)7-10-3-5-12-6-4-11-9(12)14/h10H,2-7H2,1H3,(H,11,14)
InChIKeyZNWMSQBDCMPATO-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.84
Rot. Bonds6

About ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethylamino]acetate

ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethylamino]acetate (PubChem CID 60812530) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-oxoimidazolidin-1-yl)ethylamino]acetate
PubChem CID60812530
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Nameethyl 2-[2-(2-oxoimidazolidin-1-yl)ethylamino]acetate
SMILESCCOC(=O)CNCCN1CCNC1=O
InChIInChI=1S/C9H17N3O3/c1-2-15-8(13)7-10-3-5-12-6-4-11-9(12)14/h10H,2-7H2,1H3,(H,11,14)
InChIKeyZNWMSQBDCMPATO-UHFFFAOYSA-N
XLogP-0.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethylamino]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethylamino]acetate?
The IUPAC name of ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethylamino]acetate (CID 60812530) is ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethylamino]acetate?
The canonical SMILES for ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethylamino]acetate is CCOC(=O)CNCCN1CCNC1=O.
What is the InChIKey of ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethylamino]acetate?
The InChIKey is ZNWMSQBDCMPATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-2-15-8(13)7-10-3-5-12-6-4-11-9(12)14/h10H,2-7H2,1H3,(H,11,14).
What are the key properties of ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethylamino]acetate?
ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethylamino]acetate has a molecular weight of 215.25 g/mol, XLogP of -0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethylamino]acetate is sourced from PubChem (CID 60812530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).