2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate

C9H15NO4 — CID 15965674

IUPAC2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCC
InChIInChI=1S/C9H15NO4/c1-4-13-9(12)10-5-6-14-8(11)7(2)3/h2,4-6H2,1,3H3,(H,10,12)
InChIKeyUZYCNPMYMLSNPK-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.85
Rot. Bonds5

About 2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate

2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate (PubChem CID 15965674) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate
PubChem CID15965674
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCC
InChIInChI=1S/C9H15NO4/c1-4-13-9(12)10-5-6-14-8(11)7(2)3/h2,4-6H2,1,3H3,(H,10,12)
InChIKeyUZYCNPMYMLSNPK-UHFFFAOYSA-N
XLogP0.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(ethoxycarbonylamino)ethyl 2-methylprop-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-((tert-Butoxycarbonyl)amino)ethyl methacrylate
CID 11172242
2-Propenoic acid, 2-methyl-, 2-(((butylamino)carbonyl)oxy)ethyl ester
CID 171021
2-(Tert-butylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 17873151
Dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium acetate
CID 73555277
n,o-Bismethacryloyl ethanolamine
CID 15312507
2-Propenoic acid, 2-methyl-, 2-(methylamino)ethyl ester
CID 10154110
2-Propenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl ester
CID 11492219
N,N'-bis-(2-methacryloyloxyethyl)-urea
CID 15208782
2-(Ethylamino)ethyl 2-methylprop-2-enoate
CID 18325612
1-(2-Methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate
CID 18755069
2-(Ethylcarbamoyloxy) ethyl methacrylate
CID 20580336
Dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-methylprop-2-enoate
CID 22403528

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate (CID 15965674) is 2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OCC.
What is the InChIKey of 2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is UZYCNPMYMLSNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-4-13-9(12)10-5-6-14-8(11)7(2)3/h2,4-6H2,1,3H3,(H,10,12).
What are the key properties of 2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate?
2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 201.22 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 15965674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).