3-[(E)-prop-1-enoxy]propanoic acid

C6H10O3 — CID 140973648

IUPAC3-[(E)-prop-1-enoxy]propanoic acid
SMILESC/C=C/OCCC(=O)O
InChIInChI=1S/C6H10O3/c1-2-4-9-5-3-6(7)8/h2,4H,3,5H2,1H3,(H,7,8)/b4-2+
InChIKeyWNWJEWBQWOFWEF-DUXPYHPUSA-N
MW130.14 g/mol
LogP1.01
Rot. Bonds4

About 3-[(E)-prop-1-enoxy]propanoic acid

3-[(E)-prop-1-enoxy]propanoic acid (PubChem CID 140973648) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 3-[(E)-prop-1-enoxy]propanoic acid.

Molecular Properties

Compound Name3-[(E)-prop-1-enoxy]propanoic acid
PubChem CID140973648
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name3-[(E)-prop-1-enoxy]propanoic acid
SMILESC/C=C/OCCC(=O)O
InChIInChI=1S/C6H10O3/c1-2-4-9-5-3-6(7)8/h2,4H,3,5H2,1H3,(H,7,8)/b4-2+
InChIKeyWNWJEWBQWOFWEF-DUXPYHPUSA-N
XLogP1.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(E)-prop-1-enoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enoxy]propanoic acid?
The IUPAC name of 3-[(E)-prop-1-enoxy]propanoic acid (CID 140973648) is 3-[(E)-prop-1-enoxy]propanoic acid.
What is the SMILES notation for 3-[(E)-prop-1-enoxy]propanoic acid?
The canonical SMILES for 3-[(E)-prop-1-enoxy]propanoic acid is C/C=C/OCCC(=O)O.
What is the InChIKey of 3-[(E)-prop-1-enoxy]propanoic acid?
The InChIKey is WNWJEWBQWOFWEF-DUXPYHPUSA-N. The full InChI is InChI=1S/C6H10O3/c1-2-4-9-5-3-6(7)8/h2,4H,3,5H2,1H3,(H,7,8)/b4-2+.
What are the key properties of 3-[(E)-prop-1-enoxy]propanoic acid?
3-[(E)-prop-1-enoxy]propanoic acid has a molecular weight of 130.14 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enoxy]propanoic acid is sourced from PubChem (CID 140973648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).