2-(but-2-enoylamino)ethyl 2-methylidenebutanoate

C11H17NO3 — CID 173154402

IUPAC2-(but-2-enoylamino)ethyl 2-methylidenebutanoate
SMILESC=C(CC)C(=O)OCCNC(=O)C=CC
InChIInChI=1S/C11H17NO3/c1-4-6-10(13)12-7-8-15-11(14)9(3)5-2/h4,6H,3,5,7-8H2,1-2H3,(H,12,13)
InChIKeyJZZCHMQFNROQTI-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.19
Rot. Bonds6

About 2-(but-2-enoylamino)ethyl 2-methylidenebutanoate

2-(but-2-enoylamino)ethyl 2-methylidenebutanoate (PubChem CID 173154402) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(but-2-enoylamino)ethyl 2-methylidenebutanoate.

Molecular Properties

Compound Name2-(but-2-enoylamino)ethyl 2-methylidenebutanoate
PubChem CID173154402
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-(but-2-enoylamino)ethyl 2-methylidenebutanoate
SMILESC=C(CC)C(=O)OCCNC(=O)C=CC
InChIInChI=1S/C11H17NO3/c1-4-6-10(13)12-7-8-15-11(14)9(3)5-2/h4,6H,3,5,7-8H2,1-2H3,(H,12,13)
InChIKeyJZZCHMQFNROQTI-UHFFFAOYSA-N
XLogP1.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(but-2-enoylamino)ethyl 2-methylidenebutanoate?
The IUPAC name of 2-(but-2-enoylamino)ethyl 2-methylidenebutanoate (CID 173154402) is 2-(but-2-enoylamino)ethyl 2-methylidenebutanoate.
What is the SMILES notation for 2-(but-2-enoylamino)ethyl 2-methylidenebutanoate?
The canonical SMILES for 2-(but-2-enoylamino)ethyl 2-methylidenebutanoate is C=C(CC)C(=O)OCCNC(=O)C=CC.
What is the InChIKey of 2-(but-2-enoylamino)ethyl 2-methylidenebutanoate?
The InChIKey is JZZCHMQFNROQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-6-10(13)12-7-8-15-11(14)9(3)5-2/h4,6H,3,5,7-8H2,1-2H3,(H,12,13).
What are the key properties of 2-(but-2-enoylamino)ethyl 2-methylidenebutanoate?
2-(but-2-enoylamino)ethyl 2-methylidenebutanoate has a molecular weight of 211.26 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-2-enoylamino)ethyl 2-methylidenebutanoate is sourced from PubChem (CID 173154402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).