diethyl 2-(prop-2-enoylamino)propanedioate

C10H15NO5 — CID 15096432

IUPACdiethyl 2-(prop-2-enoylamino)propanedioate
SMILESC=CC(=O)NC(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C10H15NO5/c1-4-7(12)11-8(9(13)15-5-2)10(14)16-6-3/h4,8H,1,5-6H2,2-3H3,(H,11,12)
InChIKeyKSKCXFCXHNWLNO-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.22
Rot. Bonds6

About diethyl 2-(prop-2-enoylamino)propanedioate

diethyl 2-(prop-2-enoylamino)propanedioate (PubChem CID 15096432) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is diethyl 2-(prop-2-enoylamino)propanedioate.

Molecular Properties

Compound Namediethyl 2-(prop-2-enoylamino)propanedioate
PubChem CID15096432
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Namediethyl 2-(prop-2-enoylamino)propanedioate
SMILESC=CC(=O)NC(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C10H15NO5/c1-4-7(12)11-8(9(13)15-5-2)10(14)16-6-3/h4,8H,1,5-6H2,2-3H3,(H,11,12)
InChIKeyKSKCXFCXHNWLNO-UHFFFAOYSA-N
XLogP-0.22
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-(prop-2-enoylamino)propanedioate?
The IUPAC name of diethyl 2-(prop-2-enoylamino)propanedioate (CID 15096432) is diethyl 2-(prop-2-enoylamino)propanedioate.
What is the SMILES notation for diethyl 2-(prop-2-enoylamino)propanedioate?
The canonical SMILES for diethyl 2-(prop-2-enoylamino)propanedioate is C=CC(=O)NC(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-(prop-2-enoylamino)propanedioate?
The InChIKey is KSKCXFCXHNWLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-4-7(12)11-8(9(13)15-5-2)10(14)16-6-3/h4,8H,1,5-6H2,2-3H3,(H,11,12).
What are the key properties of diethyl 2-(prop-2-enoylamino)propanedioate?
diethyl 2-(prop-2-enoylamino)propanedioate has a molecular weight of 229.23 g/mol, XLogP of -0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(prop-2-enoylamino)propanedioate is sourced from PubChem (CID 15096432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).