ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate

C11H20N2O3 — CID 61498840

IUPACethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate
SMILESC=CCNC(=O)C(C)NC(C)C(=O)OCC
InChIInChI=1S/C11H20N2O3/c1-5-7-12-10(14)8(3)13-9(4)11(15)16-6-2/h5,8-9,13H,1,6-7H2,2-4H3,(H,12,14)
InChIKeyMTXYHTSDMCMUMF-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.22
Rot. Bonds7

About ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate

ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate (PubChem CID 61498840) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate
PubChem CID61498840
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate
SMILESC=CCNC(=O)C(C)NC(C)C(=O)OCC
InChIInChI=1S/C11H20N2O3/c1-5-7-12-10(14)8(3)13-9(4)11(15)16-6-2/h5,8-9,13H,1,6-7H2,2-4H3,(H,12,14)
InChIKeyMTXYHTSDMCMUMF-UHFFFAOYSA-N
XLogP0.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate?
The IUPAC name of ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate (CID 61498840) is ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate?
The canonical SMILES for ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate is C=CCNC(=O)C(C)NC(C)C(=O)OCC.
What is the InChIKey of ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate?
The InChIKey is MTXYHTSDMCMUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-5-7-12-10(14)8(3)13-9(4)11(15)16-6-2/h5,8-9,13H,1,6-7H2,2-4H3,(H,12,14).
What are the key properties of ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate?
ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate has a molecular weight of 228.29 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate is sourced from PubChem (CID 61498840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).