prop-2-enyl 4-[(2-methoxy-2-oxoethyl)amino]but-2-enoate

C10H15NO4 — CID 131715957

IUPACprop-2-enyl 4-[(2-methoxy-2-oxoethyl)amino]but-2-enoate
SMILESC=CCOC(=O)C=CCNCC(=O)OC
InChIInChI=1S/C10H15NO4/c1-3-7-15-9(12)5-4-6-11-8-10(13)14-2/h3-5,11H,1,6-8H2,2H3
InChIKeyNESKHADGXHWVRN-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.03
Rot. Bonds7

About prop-2-enyl 4-[(2-methoxy-2-oxoethyl)amino]but-2-enoate

prop-2-enyl 4-[(2-methoxy-2-oxoethyl)amino]but-2-enoate (PubChem CID 131715957) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is prop-2-enyl 4-[(2-methoxy-2-oxoethyl)amino]but-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl 4-[(2-methoxy-2-oxoethyl)amino]but-2-enoate
PubChem CID131715957
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nameprop-2-enyl 4-[(2-methoxy-2-oxoethyl)amino]but-2-enoate
SMILESC=CCOC(=O)C=CCNCC(=O)OC
InChIInChI=1S/C10H15NO4/c1-3-7-15-9(12)5-4-6-11-8-10(13)14-2/h3-5,11H,1,6-8H2,2H3
InChIKeyNESKHADGXHWVRN-UHFFFAOYSA-N
XLogP0.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-[(2-methoxy-2-oxoethyl)amino]but-2-enoate?
The IUPAC name of prop-2-enyl 4-[(2-methoxy-2-oxoethyl)amino]but-2-enoate (CID 131715957) is prop-2-enyl 4-[(2-methoxy-2-oxoethyl)amino]but-2-enoate.
What is the SMILES notation for prop-2-enyl 4-[(2-methoxy-2-oxoethyl)amino]but-2-enoate?
The canonical SMILES for prop-2-enyl 4-[(2-methoxy-2-oxoethyl)amino]but-2-enoate is C=CCOC(=O)C=CCNCC(=O)OC.
What is the InChIKey of prop-2-enyl 4-[(2-methoxy-2-oxoethyl)amino]but-2-enoate?
The InChIKey is NESKHADGXHWVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-7-15-9(12)5-4-6-11-8-10(13)14-2/h3-5,11H,1,6-8H2,2H3.
What are the key properties of prop-2-enyl 4-[(2-methoxy-2-oxoethyl)amino]but-2-enoate?
prop-2-enyl 4-[(2-methoxy-2-oxoethyl)amino]but-2-enoate has a molecular weight of 213.23 g/mol, XLogP of 0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-[(2-methoxy-2-oxoethyl)amino]but-2-enoate is sourced from PubChem (CID 131715957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).