methyl 2-(but-3-enylamino)acetate

C7H13NO2 — CID 55287320

IUPACmethyl 2-(but-3-enylamino)acetate
SMILESC=CCCNCC(=O)OC
InChIInChI=1S/C7H13NO2/c1-3-4-5-8-6-7(9)10-2/h3,8H,1,4-6H2,2H3
InChIKeyJABVLGQBLVBFNW-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.33
Rot. Bonds5

About methyl 2-(but-3-enylamino)acetate

methyl 2-(but-3-enylamino)acetate (PubChem CID 55287320) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl 2-(but-3-enylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(but-3-enylamino)acetate
PubChem CID55287320
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl 2-(but-3-enylamino)acetate
SMILESC=CCCNCC(=O)OC
InChIInChI=1S/C7H13NO2/c1-3-4-5-8-6-7(9)10-2/h3,8H,1,4-6H2,2H3
InChIKeyJABVLGQBLVBFNW-UHFFFAOYSA-N
XLogP0.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-(but-3-enylamino)acetate?
The IUPAC name of methyl 2-(but-3-enylamino)acetate (CID 55287320) is methyl 2-(but-3-enylamino)acetate.
What is the SMILES notation for methyl 2-(but-3-enylamino)acetate?
The canonical SMILES for methyl 2-(but-3-enylamino)acetate is C=CCCNCC(=O)OC.
What is the InChIKey of methyl 2-(but-3-enylamino)acetate?
The InChIKey is JABVLGQBLVBFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-4-5-8-6-7(9)10-2/h3,8H,1,4-6H2,2H3.
What are the key properties of methyl 2-(but-3-enylamino)acetate?
methyl 2-(but-3-enylamino)acetate has a molecular weight of 143.19 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(but-3-enylamino)acetate is sourced from PubChem (CID 55287320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).