methyl 2-[[(E)-but-2-enyl]amino]acetate

C7H13NO2 — CID 15337836

IUPACmethyl 2-[[(E)-but-2-enyl]amino]acetate
SMILESC/C=C/CNCC(=O)OC
InChIInChI=1S/C7H13NO2/c1-3-4-5-8-6-7(9)10-2/h3-4,8H,5-6H2,1-2H3/b4-3+
InChIKeyMVBHSIRTINHKAK-ONEGZZNKSA-N
MW143.19 g/mol
LogP0.33
Rot. Bonds4

About methyl 2-[[(E)-but-2-enyl]amino]acetate

methyl 2-[[(E)-but-2-enyl]amino]acetate (PubChem CID 15337836) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl 2-[[(E)-but-2-enyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(E)-but-2-enyl]amino]acetate
PubChem CID15337836
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl 2-[[(E)-but-2-enyl]amino]acetate
SMILESC/C=C/CNCC(=O)OC
InChIInChI=1S/C7H13NO2/c1-3-4-5-8-6-7(9)10-2/h3-4,8H,5-6H2,1-2H3/b4-3+
InChIKeyMVBHSIRTINHKAK-ONEGZZNKSA-N
XLogP0.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(E)-but-2-enyl]amino]acetate?
The IUPAC name of methyl 2-[[(E)-but-2-enyl]amino]acetate (CID 15337836) is methyl 2-[[(E)-but-2-enyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(E)-but-2-enyl]amino]acetate?
The canonical SMILES for methyl 2-[[(E)-but-2-enyl]amino]acetate is C/C=C/CNCC(=O)OC.
What is the InChIKey of methyl 2-[[(E)-but-2-enyl]amino]acetate?
The InChIKey is MVBHSIRTINHKAK-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-4-5-8-6-7(9)10-2/h3-4,8H,5-6H2,1-2H3/b4-3+.
What are the key properties of methyl 2-[[(E)-but-2-enyl]amino]acetate?
methyl 2-[[(E)-but-2-enyl]amino]acetate has a molecular weight of 143.19 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(E)-but-2-enyl]amino]acetate is sourced from PubChem (CID 15337836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).