2-(1-methoxyethyl)but-3-enoic acid

C7H12O3 — CID 20505768

IUPAC2-(1-methoxyethyl)but-3-enoic acid
SMILESC=CC(C(=O)O)C(C)OC
InChIInChI=1S/C7H12O3/c1-4-6(7(8)9)5(2)10-3/h4-6H,1H2,2-3H3,(H,8,9)
InChIKeyGICXIPNRLVPYSU-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.91
Rot. Bonds4

About 2-(1-methoxyethyl)but-3-enoic acid

2-(1-methoxyethyl)but-3-enoic acid (PubChem CID 20505768) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-(1-methoxyethyl)but-3-enoic acid.

Molecular Properties

Compound Name2-(1-methoxyethyl)but-3-enoic acid
PubChem CID20505768
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-(1-methoxyethyl)but-3-enoic acid
SMILESC=CC(C(=O)O)C(C)OC
InChIInChI=1S/C7H12O3/c1-4-6(7(8)9)5(2)10-3/h4-6H,1H2,2-3H3,(H,8,9)
InChIKeyGICXIPNRLVPYSU-UHFFFAOYSA-N
XLogP0.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid
CID 123565815
methyl 2-ethenyl-3-methylpent-4-enoate
CID 143849017
2-ethenyl-3-sulfanylpent-4-enoic acid
CID 173405188
(2R,3R)-2-ethenyl-3-hydroxy-5-methylhex-4-enoic acid
CID 11052073
3-(1-methoxyprop-2-enoxy)-2-methylidenebutanoic acid
CID 101456713
trimethyl (2S)-2-methylpent-4-ene-1,1,3-tricarboxylate
CID 132566153
2-ethyl-3-methoxybutanoic acid
CID 54291806
2-propan-2-yloxybut-3-enoic acid
CID 14067221
3-propan-2-ylpent-4-en-2-one
CID 87502866
2-[(2R)-but-3-en-2-yl]propanedioic acid
CID 87149049
2-amino-3-hydroxy-4-methoxypentanoic acid
CID 131223230
2-propan-2-ylbut-3-enamide
CID 147296462

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)but-3-enoic acid?
The IUPAC name of 2-(1-methoxyethyl)but-3-enoic acid (CID 20505768) is 2-(1-methoxyethyl)but-3-enoic acid.
What is the SMILES notation for 2-(1-methoxyethyl)but-3-enoic acid?
The canonical SMILES for 2-(1-methoxyethyl)but-3-enoic acid is C=CC(C(=O)O)C(C)OC.
What is the InChIKey of 2-(1-methoxyethyl)but-3-enoic acid?
The InChIKey is GICXIPNRLVPYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-4-6(7(8)9)5(2)10-3/h4-6H,1H2,2-3H3,(H,8,9).
What are the key properties of 2-(1-methoxyethyl)but-3-enoic acid?
2-(1-methoxyethyl)but-3-enoic acid has a molecular weight of 144.17 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)but-3-enoic acid is sourced from PubChem (CID 20505768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).