methyl 2-[but-3-enyl(methyl)amino]acetate

C8H15NO2 — CID 15360741

IUPACmethyl 2-[but-3-enyl(methyl)amino]acetate
SMILESC=CCCN(C)CC(=O)OC
InChIInChI=1S/C8H15NO2/c1-4-5-6-9(2)7-8(10)11-3/h4H,1,5-7H2,2-3H3
InChIKeyONBLPCFOWANFIW-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.67
Rot. Bonds5

About methyl 2-[but-3-enyl(methyl)amino]acetate

methyl 2-[but-3-enyl(methyl)amino]acetate (PubChem CID 15360741) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 2-[but-3-enyl(methyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[but-3-enyl(methyl)amino]acetate
PubChem CID15360741
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 2-[but-3-enyl(methyl)amino]acetate
SMILESC=CCCN(C)CC(=O)OC
InChIInChI=1S/C8H15NO2/c1-4-5-6-9(2)7-8(10)11-3/h4H,1,5-7H2,2-3H3
InChIKeyONBLPCFOWANFIW-UHFFFAOYSA-N
XLogP0.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[but-3-enyl(methyl)amino]acetate?
The IUPAC name of methyl 2-[but-3-enyl(methyl)amino]acetate (CID 15360741) is methyl 2-[but-3-enyl(methyl)amino]acetate.
What is the SMILES notation for methyl 2-[but-3-enyl(methyl)amino]acetate?
The canonical SMILES for methyl 2-[but-3-enyl(methyl)amino]acetate is C=CCCN(C)CC(=O)OC.
What is the InChIKey of methyl 2-[but-3-enyl(methyl)amino]acetate?
The InChIKey is ONBLPCFOWANFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-5-6-9(2)7-8(10)11-3/h4H,1,5-7H2,2-3H3.
What are the key properties of methyl 2-[but-3-enyl(methyl)amino]acetate?
methyl 2-[but-3-enyl(methyl)amino]acetate has a molecular weight of 157.21 g/mol, XLogP of 0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[but-3-enyl(methyl)amino]acetate is sourced from PubChem (CID 15360741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).