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

C8H15NO4 — CID 103261673

IUPAC(Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoic acid
SMILESCOCCONC/C=C(/C)C(=O)O
InChIInChI=1S/C8H15NO4/c1-7(8(10)11)3-4-9-13-6-5-12-2/h3,9H,4-6H2,1-2H3,(H,10,11)/b7-3-
InChIKeyDEJIPELGMNYUDJ-CLTKARDFSA-N
MW189.21 g/mol
LogP0.18
Rot. Bonds7

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

(Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoic acid (PubChem CID 103261673) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is (Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoic acid
PubChem CID103261673
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name(Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoic acid
SMILESCOCCONC/C=C(/C)C(=O)O
InChIInChI=1S/C8H15NO4/c1-7(8(10)11)3-4-9-13-6-5-12-2/h3,9H,4-6H2,1-2H3,(H,10,11)/b7-3-
InChIKeyDEJIPELGMNYUDJ-CLTKARDFSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoic acid?
The IUPAC name of (Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoic acid (CID 103261673) is (Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoic acid.
What is the SMILES notation for (Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoic acid?
The canonical SMILES for (Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoic acid is COCCONC/C=C(/C)C(=O)O.
What is the InChIKey of (Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoic acid?
The InChIKey is DEJIPELGMNYUDJ-CLTKARDFSA-N. The full InChI is InChI=1S/C8H15NO4/c1-7(8(10)11)3-4-9-13-6-5-12-2/h3,9H,4-6H2,1-2H3,(H,10,11)/b7-3-.
What are the key properties of (Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoic acid?
(Z)-4-(2-methoxyethoxyamino)-2-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 (Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoic acid is sourced from PubChem (CID 103261673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).