3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methylpropanoic acid

C11H19NO4 — CID 106484521

IUPAC3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methylpropanoic acid
SMILESC=CCN(CC(=O)OCC)CC(C)C(=O)O
InChIInChI=1S/C11H19NO4/c1-4-6-12(7-9(3)11(14)15)8-10(13)16-5-2/h4,9H,1,5-8H2,2-3H3,(H,14,15)
InChIKeySVGBFZJDHHIKNC-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.76
Rot. Bonds8

About 3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methylpropanoic acid

3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methylpropanoic acid (PubChem CID 106484521) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methylpropanoic acid
PubChem CID106484521
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methylpropanoic acid
SMILESC=CCN(CC(=O)OCC)CC(C)C(=O)O
InChIInChI=1S/C11H19NO4/c1-4-6-12(7-9(3)11(14)15)8-10(13)16-5-2/h4,9H,1,5-8H2,2-3H3,(H,14,15)
InChIKeySVGBFZJDHHIKNC-UHFFFAOYSA-N
XLogP0.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate
CID 115539187
ethyl 2-[2-(2-methylpropoxy)ethyl-prop-2-enylamino]acetate
CID 106456146
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-prop-2-enylamino]acetate
CID 78979164
ethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate
CID 78977809
ethyl 4-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]butanoate
CID 54302600
ethyl 2-[hexyl(prop-2-enyl)amino]acetate
CID 79002539
ethyl 2-[3,3-dimethylbutyl(prop-2-enyl)amino]acetate
CID 78957213
3-[[2-(butylamino)-2-oxoethyl]-prop-2-enylamino]-2-methylpropanoic acid
CID 82327249
3-[3-(diethylamino)propyl-prop-2-enylamino]-2-methylpropanoic acid
CID 82328033
ethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate
CID 78979118
2-methyl-3-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82326930
ethyl 2-[(2,5-difluorophenyl)methyl-prop-2-enylamino]acetate
CID 78977833

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methylpropanoic acid (CID 106484521) is 3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methylpropanoic acid is C=CCN(CC(=O)OCC)CC(C)C(=O)O.
What is the InChIKey of 3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methylpropanoic acid?
The InChIKey is SVGBFZJDHHIKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-4-6-12(7-9(3)11(14)15)8-10(13)16-5-2/h4,9H,1,5-8H2,2-3H3,(H,14,15).
What are the key properties of 3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methylpropanoic acid?
3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methylpropanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methylpropanoic acid is sourced from PubChem (CID 106484521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).