2-(ethoxymethylidenecarbamoylamino)ethyl prop-2-enoate

C9H14N2O4 — CID 139748458

IUPAC2-(ethoxymethylidenecarbamoylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)N=COCC
InChIInChI=1S/C9H14N2O4/c1-3-8(12)15-6-5-10-9(13)11-7-14-4-2/h3,7H,1,4-6H2,2H3,(H,10,13)
InChIKeyZLVPFBIDYGVFGK-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.49
Rot. Bonds6

About 2-(ethoxymethylidenecarbamoylamino)ethyl prop-2-enoate

2-(ethoxymethylidenecarbamoylamino)ethyl prop-2-enoate (PubChem CID 139748458) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(ethoxymethylidenecarbamoylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(ethoxymethylidenecarbamoylamino)ethyl prop-2-enoate
PubChem CID139748458
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name2-(ethoxymethylidenecarbamoylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)N=COCC
InChIInChI=1S/C9H14N2O4/c1-3-8(12)15-6-5-10-9(13)11-7-14-4-2/h3,7H,1,4-6H2,2H3,(H,10,13)
InChIKeyZLVPFBIDYGVFGK-UHFFFAOYSA-N
XLogP0.49
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(ethoxymethylidenecarbamoylamino)ethyl prop-2-enoate 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

2-(butan-2-ylidenecarbamoylamino)ethyl prop-2-enoate
CID 146640765
2-acetamidoethyl prop-2-enoate
CID 23089005
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563
2-(2-methylpropanoylamino)ethyl prop-2-enoate
CID 45120227
2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate
CID 148821363
2-(octoxycarbonylamino)ethyl prop-2-enoate
CID 101151020
N-(2-prop-2-enoyloxyethyl)carbamate
CID 20502002
lithium N-(2-prop-2-enoyloxyethyl)carbamate
CID 140879488
5-(ethoxycarbonylamino)pentyl prop-2-enoate
CID 118485730
2-[(butan-2-ylideneamino)oxycarbonylamino]ethyl prop-2-enoate
CID 87421458
2-(tridecylamino)ethyl prop-2-enoate
CID 141468520
2-(3-prop-2-enoyloxypropoxycarbonylamino)ethyl butanoate
CID 88854736

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethylidenecarbamoylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(ethoxymethylidenecarbamoylamino)ethyl prop-2-enoate (CID 139748458) is 2-(ethoxymethylidenecarbamoylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(ethoxymethylidenecarbamoylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(ethoxymethylidenecarbamoylamino)ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)N=COCC.
What is the InChIKey of 2-(ethoxymethylidenecarbamoylamino)ethyl prop-2-enoate?
The InChIKey is ZLVPFBIDYGVFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-3-8(12)15-6-5-10-9(13)11-7-14-4-2/h3,7H,1,4-6H2,2H3,(H,10,13).
What are the key properties of 2-(ethoxymethylidenecarbamoylamino)ethyl prop-2-enoate?
2-(ethoxymethylidenecarbamoylamino)ethyl prop-2-enoate has a molecular weight of 214.22 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethylidenecarbamoylamino)ethyl prop-2-enoate is sourced from PubChem (CID 139748458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).