ethyl 2-acetamido-2-methylbut-3-enoate

C9H15NO3 — CID 550995

IUPACethyl 2-acetamido-2-methylbut-3-enoate
SMILESC=CC(C)(NC(C)=O)C(=O)OCC
InChIInChI=1S/C9H15NO3/c1-5-9(4,10-7(3)11)8(12)13-6-2/h5H,1,6H2,2-4H3,(H,10,11)
InChIKeyWLDNAANKKICICM-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.63
Rot. Bonds4

About ethyl 2-acetamido-2-methylbut-3-enoate

ethyl 2-acetamido-2-methylbut-3-enoate (PubChem CID 550995) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl 2-acetamido-2-methylbut-3-enoate.

Molecular Properties

Compound Nameethyl 2-acetamido-2-methylbut-3-enoate
PubChem CID550995
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl 2-acetamido-2-methylbut-3-enoate
SMILESC=CC(C)(NC(C)=O)C(=O)OCC
InChIInChI=1S/C9H15NO3/c1-5-9(4,10-7(3)11)8(12)13-6-2/h5H,1,6H2,2-4H3,(H,10,11)
InChIKeyWLDNAANKKICICM-UHFFFAOYSA-N
XLogP0.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]but-3-enoate
CID 10933142
methyl (2S)-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]but-3-enoate
CID 101989739
Methyl 2-(ethoxycarbonylamino)-2-methylbut-3-enoate
CID 21673405
Ethyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 12477498
Ethyl 2-Acetamido-2-vinylacetate
CID 19029215
Methyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 43700007
Butyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 58645004
Methyl 2-(2,2-Dimethylbut-3-enamido)-2-methylpropanoate
CID 89044956
Ethyl 2-(ethylamino)-2-methylbut-3-enoate
CID 123159457
Ethyl 2-methyl-2-(2-methylbut-3-en-2-ylamino)propanoate
CID 134517254
Propyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 142854807
Propan-2-yl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 170269485

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-2-methylbut-3-enoate?
The IUPAC name of ethyl 2-acetamido-2-methylbut-3-enoate (CID 550995) is ethyl 2-acetamido-2-methylbut-3-enoate.
What is the SMILES notation for ethyl 2-acetamido-2-methylbut-3-enoate?
The canonical SMILES for ethyl 2-acetamido-2-methylbut-3-enoate is C=CC(C)(NC(C)=O)C(=O)OCC.
What is the InChIKey of ethyl 2-acetamido-2-methylbut-3-enoate?
The InChIKey is WLDNAANKKICICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-5-9(4,10-7(3)11)8(12)13-6-2/h5H,1,6H2,2-4H3,(H,10,11).
What are the key properties of ethyl 2-acetamido-2-methylbut-3-enoate?
ethyl 2-acetamido-2-methylbut-3-enoate has a molecular weight of 185.22 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-2-methylbut-3-enoate is sourced from PubChem (CID 550995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).