ethyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate

C11H19N3O4 — CID 62012374

IUPACethyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate
SMILESC=CCNC(=O)NC(=O)CN(C)CC(=O)OCC
InChIInChI=1S/C11H19N3O4/c1-4-6-12-11(17)13-9(15)7-14(3)8-10(16)18-5-2/h4H,1,5-8H2,2-3H3,(H2,12,13,15,17)
InChIKeyBVPMBKVWAKZSMU-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.51
Rot. Bonds7

About ethyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate

ethyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate (PubChem CID 62012374) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate
PubChem CID62012374
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Nameethyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate
SMILESC=CCNC(=O)NC(=O)CN(C)CC(=O)OCC
InChIInChI=1S/C11H19N3O4/c1-4-6-12-11(17)13-9(15)7-14(3)8-10(16)18-5-2/h4H,1,5-8H2,2-3H3,(H2,12,13,15,17)
InChIKeyBVPMBKVWAKZSMU-UHFFFAOYSA-N
XLogP-0.51
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate 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-[methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetate
CID 62013338
2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 113246213
ethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-prop-2-enylamino]acetate
CID 78977780
ethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate
CID 63381111
N-(2,6-dimethylphenyl)-2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetamide
CID 27243525
ethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate
CID 62011616
2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide
CID 17405753
2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide
CID 26430688
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 39780269
2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 27242913
N-(prop-2-enylcarbamoyl)but-3-enamide
CID 87949156
ethyl 2-[methyl-[4-(methylamino)-4-oxobutyl]amino]acetate
CID 63892113

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate (CID 62012374) is ethyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate is C=CCNC(=O)NC(=O)CN(C)CC(=O)OCC.
What is the InChIKey of ethyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate?
The InChIKey is BVPMBKVWAKZSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-4-6-12-11(17)13-9(15)7-14(3)8-10(16)18-5-2/h4H,1,5-8H2,2-3H3,(H2,12,13,15,17).
What are the key properties of ethyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate?
ethyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate has a molecular weight of 257.29 g/mol, XLogP of -0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate is sourced from PubChem (CID 62012374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).