4-[2-methoxyethyl(methyl)amino]but-2-enoic acid

C8H15NO3 — CID 57260667

IUPAC4-[2-methoxyethyl(methyl)amino]but-2-enoic acid
SMILESCOCCN(C)CC=CC(=O)O
InChIInChI=1S/C8H15NO3/c1-9(6-7-12-2)5-3-4-8(10)11/h3-4H,5-7H2,1-2H3,(H,10,11)
InChIKeyGYMZJZXYJXCNCY-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.21
Rot. Bonds6

About 4-[2-methoxyethyl(methyl)amino]but-2-enoic acid

4-[2-methoxyethyl(methyl)amino]but-2-enoic acid (PubChem CID 57260667) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 4-[2-methoxyethyl(methyl)amino]but-2-enoic acid.

Molecular Properties

Compound Name4-[2-methoxyethyl(methyl)amino]but-2-enoic acid
PubChem CID57260667
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name4-[2-methoxyethyl(methyl)amino]but-2-enoic acid
SMILESCOCCN(C)CC=CC(=O)O
InChIInChI=1S/C8H15NO3/c1-9(6-7-12-2)5-3-4-8(10)11/h3-4H,5-7H2,1-2H3,(H,10,11)
InChIKeyGYMZJZXYJXCNCY-UHFFFAOYSA-N
XLogP0.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.21
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 4-[2-methoxyethyl(methyl)amino]but-2-enoic acid?
The IUPAC name of 4-[2-methoxyethyl(methyl)amino]but-2-enoic acid (CID 57260667) is 4-[2-methoxyethyl(methyl)amino]but-2-enoic acid.
What is the SMILES notation for 4-[2-methoxyethyl(methyl)amino]but-2-enoic acid?
The canonical SMILES for 4-[2-methoxyethyl(methyl)amino]but-2-enoic acid is COCCN(C)CC=CC(=O)O.
What is the InChIKey of 4-[2-methoxyethyl(methyl)amino]but-2-enoic acid?
The InChIKey is GYMZJZXYJXCNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-9(6-7-12-2)5-3-4-8(10)11/h3-4H,5-7H2,1-2H3,(H,10,11).
What are the key properties of 4-[2-methoxyethyl(methyl)amino]but-2-enoic acid?
4-[2-methoxyethyl(methyl)amino]but-2-enoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(methyl)amino]but-2-enoic acid is sourced from PubChem (CID 57260667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).