[ethyl(methoxycarbonyl)amino] prop-2-enoate

C7H11NO4 — CID 174452943

IUPAC[ethyl(methoxycarbonyl)amino] prop-2-enoate
SMILESC=CC(=O)ON(CC)C(=O)OC
InChIInChI=1S/C7H11NO4/c1-4-6(9)12-8(5-2)7(10)11-3/h4H,1,5H2,2-3H3
InChIKeyJNEAVPXSRRCORS-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.72
Rot. Bonds2

About [ethyl(methoxycarbonyl)amino] prop-2-enoate

[ethyl(methoxycarbonyl)amino] prop-2-enoate (PubChem CID 174452943) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is [ethyl(methoxycarbonyl)amino] prop-2-enoate.

Molecular Properties

Compound Name[ethyl(methoxycarbonyl)amino] prop-2-enoate
PubChem CID174452943
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name[ethyl(methoxycarbonyl)amino] prop-2-enoate
SMILESC=CC(=O)ON(CC)C(=O)OC
InChIInChI=1S/C7H11NO4/c1-4-6(9)12-8(5-2)7(10)11-3/h4H,1,5H2,2-3H3
InChIKeyJNEAVPXSRRCORS-UHFFFAOYSA-N
XLogP0.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[ethyl(2-methylpropoxycarbonyl)amino] prop-2-enoate
CID 145309283
methyl N-ethyl-N-methoxycarbamate
CID 142794399
[ethyl(methyl)amino] prop-2-enoate
CID 154170734
bis(methyl prop-2-enoate);propane
CID 160610529
dimethoxymethane;methyl prop-2-enoate
CID 162245850
[ethyl(pentan-3-yl)amino] prop-2-enoate
CID 87581943
dimethylamino prop-2-enoate
CID 20697927
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
azane;dimethylamino prop-2-enoate
CID 162313992
ethyl(dimethyl)stannane;methyl prop-2-enoate
CID 174264284
methyl prop-2-enoate;zinc;hydroiodide
CID 174920800
N-methylmethanamine;methyl prop-2-enoate
CID 160519545

Frequently Asked Questions

What is the IUPAC name of [ethyl(methoxycarbonyl)amino] prop-2-enoate?
The IUPAC name of [ethyl(methoxycarbonyl)amino] prop-2-enoate (CID 174452943) is [ethyl(methoxycarbonyl)amino] prop-2-enoate.
What is the SMILES notation for [ethyl(methoxycarbonyl)amino] prop-2-enoate?
The canonical SMILES for [ethyl(methoxycarbonyl)amino] prop-2-enoate is C=CC(=O)ON(CC)C(=O)OC.
What is the InChIKey of [ethyl(methoxycarbonyl)amino] prop-2-enoate?
The InChIKey is JNEAVPXSRRCORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-4-6(9)12-8(5-2)7(10)11-3/h4H,1,5H2,2-3H3.
What are the key properties of [ethyl(methoxycarbonyl)amino] prop-2-enoate?
[ethyl(methoxycarbonyl)amino] prop-2-enoate has a molecular weight of 173.17 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(methoxycarbonyl)amino] prop-2-enoate is sourced from PubChem (CID 174452943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).