ethyl 2-(prop-2-enylcarbamoylamino)acetate

C8H14N2O3 — CID 14320717

IUPACethyl 2-(prop-2-enylcarbamoylamino)acetate
SMILESC=CCNC(=O)NCC(=O)OCC
InChIInChI=1S/C8H14N2O3/c1-3-5-9-8(12)10-6-7(11)13-4-2/h3H,1,4-6H2,2H3,(H2,9,10,12)
InChIKeyKUFQPPMFZPSWGJ-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.03
Rot. Bonds5

About ethyl 2-(prop-2-enylcarbamoylamino)acetate

ethyl 2-(prop-2-enylcarbamoylamino)acetate (PubChem CID 14320717) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is ethyl 2-(prop-2-enylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(prop-2-enylcarbamoylamino)acetate
PubChem CID14320717
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Nameethyl 2-(prop-2-enylcarbamoylamino)acetate
SMILESC=CCNC(=O)NCC(=O)OCC
InChIInChI=1S/C8H14N2O3/c1-3-5-9-8(12)10-6-7(11)13-4-2/h3H,1,4-6H2,2H3,(H2,9,10,12)
InChIKeyKUFQPPMFZPSWGJ-UHFFFAOYSA-N
XLogP0.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-(prop-2-enylcarbamoylamino)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-(prop-2-enylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(prop-2-enylcarbamoylamino)acetate (CID 14320717) is ethyl 2-(prop-2-enylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(prop-2-enylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(prop-2-enylcarbamoylamino)acetate is C=CCNC(=O)NCC(=O)OCC.
What is the InChIKey of ethyl 2-(prop-2-enylcarbamoylamino)acetate?
The InChIKey is KUFQPPMFZPSWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-3-5-9-8(12)10-6-7(11)13-4-2/h3H,1,4-6H2,2H3,(H2,9,10,12).
What are the key properties of ethyl 2-(prop-2-enylcarbamoylamino)acetate?
ethyl 2-(prop-2-enylcarbamoylamino)acetate has a molecular weight of 186.21 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(prop-2-enylcarbamoylamino)acetate is sourced from PubChem (CID 14320717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).