ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate

C8H14N4O4 — CID 19708140

IUPACethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate
SMILESCCOC(=O)N(N)CCC1NC(=O)NC1=O
InChIInChI=1S/C8H14N4O4/c1-2-16-8(15)12(9)4-3-5-6(13)11-7(14)10-5/h5H,2-4,9H2,1H3,(H2,10,11,13,14)
InChIKeyHAQZTYIYTWDGLF-UHFFFAOYSA-N
MW230.22 g/mol
LogP-1.08
Rot. Bonds4

About ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate

ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate (PubChem CID 19708140) has the molecular formula C8H14N4O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate
PubChem CID19708140
Molecular FormulaC8H14N4O4
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Nameethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate
SMILESCCOC(=O)N(N)CCC1NC(=O)NC1=O
InChIInChI=1S/C8H14N4O4/c1-2-16-8(15)12(9)4-3-5-6(13)11-7(14)10-5/h5H,2-4,9H2,1H3,(H2,10,11,13,14)
InChIKeyHAQZTYIYTWDGLF-UHFFFAOYSA-N
XLogP-1.08
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate 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 N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate?
The IUPAC name of ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate (CID 19708140) is ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate.
What is the SMILES notation for ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate?
The canonical SMILES for ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate is CCOC(=O)N(N)CCC1NC(=O)NC1=O.
What is the InChIKey of ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate?
The InChIKey is HAQZTYIYTWDGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4/c1-2-16-8(15)12(9)4-3-5-6(13)11-7(14)10-5/h5H,2-4,9H2,1H3,(H2,10,11,13,14).
What are the key properties of ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate?
ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate has a molecular weight of 230.22 g/mol, XLogP of -1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate is sourced from PubChem (CID 19708140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).