2-(prop-2-enoylamino)ethyl 3-oxopentanoate

C10H15NO4 — CID 54548249

IUPAC2-(prop-2-enoylamino)ethyl 3-oxopentanoate
SMILESC=CC(=O)NCCOC(=O)CC(=O)CC
InChIInChI=1S/C10H15NO4/c1-3-8(12)7-10(14)15-6-5-11-9(13)4-2/h4H,2-3,5-7H2,1H3,(H,11,13)
InChIKeyZICADZYQMLCNSX-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.20
Rot. Bonds7

About 2-(prop-2-enoylamino)ethyl 3-oxopentanoate

2-(prop-2-enoylamino)ethyl 3-oxopentanoate (PubChem CID 54548249) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-(prop-2-enoylamino)ethyl 3-oxopentanoate.

Molecular Properties

Compound Name2-(prop-2-enoylamino)ethyl 3-oxopentanoate
PubChem CID54548249
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-(prop-2-enoylamino)ethyl 3-oxopentanoate
SMILESC=CC(=O)NCCOC(=O)CC(=O)CC
InChIInChI=1S/C10H15NO4/c1-3-8(12)7-10(14)15-6-5-11-9(13)4-2/h4H,2-3,5-7H2,1H3,(H,11,13)
InChIKeyZICADZYQMLCNSX-UHFFFAOYSA-N
XLogP0.20
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(Acryloylamino)ethyl 3-oxobutanoate
CID 22183013
2-(2-Methylprop-2-enoylamino)ethyl 3-oxobutanoate
CID 22183009
2-[2-(Acryloylamino)ethoxy]ethyl 3-oxobutanoate
CID 22723846
1-(Prop-2-enoylamino)butan-2-yl 3-oxopentanoate
CID 53996731
2-(2-Methylprop-2-enoylamino)ethyl 3-oxopentanoate
CID 54548097
4-(Prop-2-enoylamino)butyl 3-oxopentanoate
CID 57058394
1-(2-Methylprop-2-enoylamino)butan-2-yl 3-oxopentanoate
CID 87498653
1-(Prop-2-enoylamino)ethyl 3-oxobutanoate
CID 89051458
(2-Oxooxan-4-yl) 2-(prop-2-enoylamino)acetate
CID 89792563
2-[2-Aminoethyl(prop-2-enoyl)amino]ethyl 3-oxobutanoate
CID 152044955
2-[Methyl(prop-2-enoyl)amino]ethyl 3-oxobutanoate
CID 152143076
2-(Prop-2-enoylamino)ethyl 3-oxobutanoate
CID 157581001

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoylamino)ethyl 3-oxopentanoate?
The IUPAC name of 2-(prop-2-enoylamino)ethyl 3-oxopentanoate (CID 54548249) is 2-(prop-2-enoylamino)ethyl 3-oxopentanoate.
What is the SMILES notation for 2-(prop-2-enoylamino)ethyl 3-oxopentanoate?
The canonical SMILES for 2-(prop-2-enoylamino)ethyl 3-oxopentanoate is C=CC(=O)NCCOC(=O)CC(=O)CC.
What is the InChIKey of 2-(prop-2-enoylamino)ethyl 3-oxopentanoate?
The InChIKey is ZICADZYQMLCNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-8(12)7-10(14)15-6-5-11-9(13)4-2/h4H,2-3,5-7H2,1H3,(H,11,13).
What are the key properties of 2-(prop-2-enoylamino)ethyl 3-oxopentanoate?
2-(prop-2-enoylamino)ethyl 3-oxopentanoate has a molecular weight of 213.23 g/mol, XLogP of 0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoylamino)ethyl 3-oxopentanoate is sourced from PubChem (CID 54548249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).