3-[(Z)-but-2-enoxy]propanoic acid

C7H12O3 — CID 10351812

IUPAC3-[(Z)-but-2-enoxy]propanoic acid
SMILESC/C=C\COCCC(=O)O
InChIInChI=1S/C7H12O3/c1-2-3-5-10-6-4-7(8)9/h2-3H,4-6H2,1H3,(H,8,9)/b3-2-
InChIKeyRRFDYOJCKDEPPW-IHWYPQMZSA-N
MW144.17 g/mol
LogP1.05
Rot. Bonds5

About 3-[(Z)-but-2-enoxy]propanoic acid

3-[(Z)-but-2-enoxy]propanoic acid (PubChem CID 10351812) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-[(Z)-but-2-enoxy]propanoic acid.

Molecular Properties

Compound Name3-[(Z)-but-2-enoxy]propanoic acid
PubChem CID10351812
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name3-[(Z)-but-2-enoxy]propanoic acid
SMILESC/C=C\COCCC(=O)O
InChIInChI=1S/C7H12O3/c1-2-3-5-10-6-4-7(8)9/h2-3H,4-6H2,1H3,(H,8,9)/b3-2-
InChIKeyRRFDYOJCKDEPPW-IHWYPQMZSA-N
XLogP1.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-4-(2-carboxyethoxy)but-2-enoxy]propanoic acid
CID 88588608
3-[(E)-but-2-enoxy]propanamide
CID 62276924
1-[(E)-but-2-enoxy]pentan-3-one
CID 166515002
3-[2-(2-oxoethoxy)ethoxy]propanoic acid
CID 87404633
3-(2-prop-2-enoxyethoxy)propanoic acid
CID 59615985
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
1,6-bis(but-2-enoxy)hexane
CID 173425920
6-[(E)-but-2-enoxy]-2,2-dimethylhexanoic acid
CID 106714325
3-prop-1-enoxypropanoic acid
CID 140976300
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
2-[(E)-but-2-enoxy]ethanamine
CID 58684399

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-2-enoxy]propanoic acid?
The IUPAC name of 3-[(Z)-but-2-enoxy]propanoic acid (CID 10351812) is 3-[(Z)-but-2-enoxy]propanoic acid.
What is the SMILES notation for 3-[(Z)-but-2-enoxy]propanoic acid?
The canonical SMILES for 3-[(Z)-but-2-enoxy]propanoic acid is C/C=C\COCCC(=O)O.
What is the InChIKey of 3-[(Z)-but-2-enoxy]propanoic acid?
The InChIKey is RRFDYOJCKDEPPW-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H12O3/c1-2-3-5-10-6-4-7(8)9/h2-3H,4-6H2,1H3,(H,8,9)/b3-2-.
What are the key properties of 3-[(Z)-but-2-enoxy]propanoic acid?
3-[(Z)-but-2-enoxy]propanoic acid has a molecular weight of 144.17 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-2-enoxy]propanoic acid is sourced from PubChem (CID 10351812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).