2-methoxypent-3-enoic acid

C6H10O3 — CID 131268395

IUPAC2-methoxypent-3-enoic acid
SMILESCC=CC(OC)C(=O)O
InChIInChI=1S/C6H10O3/c1-3-4-5(9-2)6(7)8/h3-5H,1-2H3,(H,7,8)
InChIKeyIFBWDYSTWUMCOO-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.66
Rot. Bonds3

About 2-methoxypent-3-enoic acid

2-methoxypent-3-enoic acid (PubChem CID 131268395) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2-methoxypent-3-enoic acid.

Molecular Properties

Compound Name2-methoxypent-3-enoic acid
PubChem CID131268395
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2-methoxypent-3-enoic acid
SMILESCC=CC(OC)C(=O)O
InChIInChI=1S/C6H10O3/c1-3-4-5(9-2)6(7)8/h3-5H,1-2H3,(H,7,8)
InChIKeyIFBWDYSTWUMCOO-UHFFFAOYSA-N
XLogP0.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.66
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

(E)-5-hydroxy-2-methoxypent-3-enoic acid
CID 57173639
2-phosphonooxypent-3-enoic acid
CID 154398520
(E,2R,3R)-2-methoxy-3-trimethylsilylhex-4-enoic acid
CID 15049413
(E)-2-methoxy-4-phenylbut-3-enoic acid
CID 11217749
2-methoxy-4-oxobut-3-enoic acid;hydrate
CID 174417876
2-[(E)-prop-1-enyl]propanedioic acid;hydrate
CID 172795597
2-oxohex-4-en-3-yl acetate
CID 71362044
2-bromo-2-methoxyacetic acid
CID 20525444
(E)-2-ethylpent-3-enoic acid
CID 12678748
4-imino-2-methoxy-3-oxobutanoic acid
CID 57243564
2-dimethylsilyloxybut-3-enoic acid
CID 154503228
methyl (E)-2-fluoropent-3-enoate
CID 134934364

Frequently Asked Questions

What is the IUPAC name of 2-methoxypent-3-enoic acid?
The IUPAC name of 2-methoxypent-3-enoic acid (CID 131268395) is 2-methoxypent-3-enoic acid.
What is the SMILES notation for 2-methoxypent-3-enoic acid?
The canonical SMILES for 2-methoxypent-3-enoic acid is CC=CC(OC)C(=O)O.
What is the InChIKey of 2-methoxypent-3-enoic acid?
The InChIKey is IFBWDYSTWUMCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-3-4-5(9-2)6(7)8/h3-5H,1-2H3,(H,7,8).
What are the key properties of 2-methoxypent-3-enoic acid?
2-methoxypent-3-enoic acid has a molecular weight of 130.14 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypent-3-enoic acid is sourced from PubChem (CID 131268395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).