3-prop-1-enoxypropanoic acid

C6H10O3 — CID 140976300

IUPAC3-prop-1-enoxypropanoic acid
SMILESCC=COCCC(=O)O
InChIInChI=1S/C6H10O3/c1-2-4-9-5-3-6(7)8/h2,4H,3,5H2,1H3,(H,7,8)
InChIKeyWNWJEWBQWOFWEF-UHFFFAOYSA-N
MW130.14 g/mol
LogP1.01
Rot. Bonds4

About 3-prop-1-enoxypropanoic acid

3-prop-1-enoxypropanoic acid (PubChem CID 140976300) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 3-prop-1-enoxypropanoic acid.

Molecular Properties

Compound Name3-prop-1-enoxypropanoic acid
PubChem CID140976300
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name3-prop-1-enoxypropanoic acid
SMILESCC=COCCC(=O)O
InChIInChI=1S/C6H10O3/c1-2-4-9-5-3-6(7)8/h2,4H,3,5H2,1H3,(H,7,8)
InChIKeyWNWJEWBQWOFWEF-UHFFFAOYSA-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-prop-1-enoxypropanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

Fluoro 3-prop-1-enoxypropanoate
CID 140370945
3-Ethenoxypropanoic acid
CID 22133478
3-Prop-1-en-2-yloxypropanoic acid
CID 57624121
butane;3-oxo-3-[(Z)-prop-1-enoxy]propanoic acid
CID 88701469
Buta-1,2-dienyl 3-hydroxypropanoate
CID 88813239
Prop-1-enyl 3-hydroxypropanoate
CID 91598905
3-[(1Z,4Z)-5-hydroxypenta-1,4-dienoxy]propanoic acid
CID 137394916
3-Oxo-3-pent-1-enoxypropanoic acid
CID 139900292
3-Oxo-3-prop-1-enoxypropanoic acid
CID 139900302
3-But-1-enoxy-3-oxopropanoic acid
CID 139900319
3-[(E)-prop-1-enoxy]propanoic acid
CID 140973648
3-Hydroxypropanoic acid;prop-1-ene
CID 141190876

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-enoxypropanoic acid?
The IUPAC name of 3-prop-1-enoxypropanoic acid (CID 140976300) is 3-prop-1-enoxypropanoic acid.
What is the SMILES notation for 3-prop-1-enoxypropanoic acid?
The canonical SMILES for 3-prop-1-enoxypropanoic acid is CC=COCCC(=O)O.
What is the InChIKey of 3-prop-1-enoxypropanoic acid?
The InChIKey is WNWJEWBQWOFWEF-UHFFFAOYSA-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).
What are the key properties of 3-prop-1-enoxypropanoic acid?
3-prop-1-enoxypropanoic 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-prop-1-enoxypropanoic acid is sourced from PubChem (CID 140976300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).