4-(2-methoxyethoxyamino)-3-methylbut-2-enoic acid

C8H15NO4 — CID 103261690

IUPAC4-(2-methoxyethoxyamino)-3-methylbut-2-enoic acid
SMILESCOCCONCC(C)=CC(=O)O
InChIInChI=1S/C8H15NO4/c1-7(5-8(10)11)6-9-13-4-3-12-2/h5,9H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyQJRVAUNCZBRZAY-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.18
Rot. Bonds7

About 4-(2-methoxyethoxyamino)-3-methylbut-2-enoic acid

4-(2-methoxyethoxyamino)-3-methylbut-2-enoic acid (PubChem CID 103261690) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-(2-methoxyethoxyamino)-3-methylbut-2-enoic acid.

Molecular Properties

Compound Name4-(2-methoxyethoxyamino)-3-methylbut-2-enoic acid
PubChem CID103261690
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name4-(2-methoxyethoxyamino)-3-methylbut-2-enoic acid
SMILESCOCCONCC(C)=CC(=O)O
InChIInChI=1S/C8H15NO4/c1-7(5-8(10)11)6-9-13-4-3-12-2/h5,9H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyQJRVAUNCZBRZAY-UHFFFAOYSA-N
XLogP0.18
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(Methoxyamino)-3-methylbut-2-enoic acid
CID 103254309
4-(Ethoxyamino)-3-methylbut-2-enoic acid
CID 103254499
3-Methyl-4-(2-methylpropoxyamino)but-2-enoic acid
CID 103261577
(Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoic acid
CID 103261673
(E)-4-(2-methoxyethoxyamino)but-2-enoic acid
CID 103261688
4-(Hydroxyamino)-3-methylbut-2-enoic acid
CID 103282676
(E)-4-(hydroxyamino)-3-methylbut-2-enoic acid
CID 133628085

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxyamino)-3-methylbut-2-enoic acid?
The IUPAC name of 4-(2-methoxyethoxyamino)-3-methylbut-2-enoic acid (CID 103261690) is 4-(2-methoxyethoxyamino)-3-methylbut-2-enoic acid.
What is the SMILES notation for 4-(2-methoxyethoxyamino)-3-methylbut-2-enoic acid?
The canonical SMILES for 4-(2-methoxyethoxyamino)-3-methylbut-2-enoic acid is COCCONCC(C)=CC(=O)O.
What is the InChIKey of 4-(2-methoxyethoxyamino)-3-methylbut-2-enoic acid?
The InChIKey is QJRVAUNCZBRZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-7(5-8(10)11)6-9-13-4-3-12-2/h5,9H,3-4,6H2,1-2H3,(H,10,11).
What are the key properties of 4-(2-methoxyethoxyamino)-3-methylbut-2-enoic acid?
4-(2-methoxyethoxyamino)-3-methylbut-2-enoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxyamino)-3-methylbut-2-enoic acid is sourced from PubChem (CID 103261690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).