ethyl 3-amino-2-methylprop-2-enoate

C6H11NO2 — CID 54558291

IUPACethyl 3-amino-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=CN
InChIInChI=1S/C6H11NO2/c1-3-9-6(8)5(2)4-7/h4H,3,7H2,1-2H3
InChIKeyZUBMZHJPTYYMRG-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.41
Rot. Bonds2

About ethyl 3-amino-2-methylprop-2-enoate

ethyl 3-amino-2-methylprop-2-enoate (PubChem CID 54558291) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is ethyl 3-amino-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-amino-2-methylprop-2-enoate
PubChem CID54558291
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameethyl 3-amino-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=CN
InChIInChI=1S/C6H11NO2/c1-3-9-6(8)5(2)4-7/h4H,3,7H2,1-2H3
InChIKeyZUBMZHJPTYYMRG-UHFFFAOYSA-N
XLogP0.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-2-methylpent-2-enoate
CID 6436311
diethyl (2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedioate
CID 14755504
ethyl 2-methyl-3-silylprop-2-enoate
CID 173118701
ethyl 3-(dimethylamino)-2-methylprop-2-enoate
CID 54270575
ethyl (E)-4-bromo-2-methylbut-2-enoate;methane
CID 158230787
ethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate
CID 173442797
diethyl 2-methylpent-2-enedioate
CID 592902
azane;ethyl 2,4,4-trimethylpent-2-enoate
CID 175378002
ethyl 2-methyl-3-sulfamoylprop-2-enoate
CID 175004605
ethyl 2-methyl-3-methylidenephosphanylprop-2-enoate
CID 91329650
ethyl 2-oxo(213C)propanoate
CID 71309469
CID 159370772
CID 159370772

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-methylprop-2-enoate?
The IUPAC name of ethyl 3-amino-2-methylprop-2-enoate (CID 54558291) is ethyl 3-amino-2-methylprop-2-enoate.
What is the SMILES notation for ethyl 3-amino-2-methylprop-2-enoate?
The canonical SMILES for ethyl 3-amino-2-methylprop-2-enoate is CCOC(=O)C(C)=CN.
What is the InChIKey of ethyl 3-amino-2-methylprop-2-enoate?
The InChIKey is ZUBMZHJPTYYMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-9-6(8)5(2)4-7/h4H,3,7H2,1-2H3.
What are the key properties of ethyl 3-amino-2-methylprop-2-enoate?
ethyl 3-amino-2-methylprop-2-enoate has a molecular weight of 129.16 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-methylprop-2-enoate is sourced from PubChem (CID 54558291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).