ethyl (E)-3-amino-2-methylprop-2-enoate

C6H11NO2 — CID 23046786

IUPACethyl (E)-3-amino-2-methylprop-2-enoate
SMILESCCOC(=O)/C(C)=C/N
InChIInChI=1S/C6H11NO2/c1-3-9-6(8)5(2)4-7/h4H,3,7H2,1-2H3/b5-4+
InChIKeyZUBMZHJPTYYMRG-SNAWJCMRSA-N
MW129.16 g/mol
LogP0.41
Rot. Bonds2

About ethyl (E)-3-amino-2-methylprop-2-enoate

ethyl (E)-3-amino-2-methylprop-2-enoate (PubChem CID 23046786) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is ethyl (E)-3-amino-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-amino-2-methylprop-2-enoate
PubChem CID23046786
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameethyl (E)-3-amino-2-methylprop-2-enoate
SMILESCCOC(=O)/C(C)=C/N
InChIInChI=1S/C6H11NO2/c1-3-9-6(8)5(2)4-7/h4H,3,7H2,1-2H3/b5-4+
InChIKeyZUBMZHJPTYYMRG-SNAWJCMRSA-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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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-amino-2-methylprop-2-enoate?
The IUPAC name of ethyl (E)-3-amino-2-methylprop-2-enoate (CID 23046786) is ethyl (E)-3-amino-2-methylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-amino-2-methylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-amino-2-methylprop-2-enoate is CCOC(=O)/C(C)=C/N.
What is the InChIKey of ethyl (E)-3-amino-2-methylprop-2-enoate?
The InChIKey is ZUBMZHJPTYYMRG-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-9-6(8)5(2)4-7/h4H,3,7H2,1-2H3/b5-4+.
What are the key properties of ethyl (E)-3-amino-2-methylprop-2-enoate?
ethyl (E)-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 (E)-3-amino-2-methylprop-2-enoate is sourced from PubChem (CID 23046786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).