3-[(Z)-4-(2-carboxyethoxy)but-2-enoxy]propanoic acid

C10H16O6 — CID 88588608

IUPAC3-[(Z)-4-(2-carboxyethoxy)but-2-enoxy]propanoic acid
SMILESO=C(O)CCOC/C=C\COCCC(=O)O
InChIInChI=1S/C10H16O6/c11-9(12)3-7-15-5-1-2-6-16-8-4-10(13)14/h1-2H,3-8H2,(H,11,12)(H,13,14)/b2-1-
InChIKeyYMQYVJKEPGHLLD-UPHRSURJSA-N
MW232.23 g/mol
LogP0.53
Rot. Bonds10

About 3-[(Z)-4-(2-carboxyethoxy)but-2-enoxy]propanoic acid

3-[(Z)-4-(2-carboxyethoxy)but-2-enoxy]propanoic acid (PubChem CID 88588608) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is 3-[(Z)-4-(2-carboxyethoxy)but-2-enoxy]propanoic acid.

Molecular Properties

Compound Name3-[(Z)-4-(2-carboxyethoxy)but-2-enoxy]propanoic acid
PubChem CID88588608
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name3-[(Z)-4-(2-carboxyethoxy)but-2-enoxy]propanoic acid
SMILESO=C(O)CCOC/C=C\COCCC(=O)O
InChIInChI=1S/C10H16O6/c11-9(12)3-7-15-5-1-2-6-16-8-4-10(13)14/h1-2H,3-8H2,(H,11,12)(H,13,14)/b2-1-
InChIKeyYMQYVJKEPGHLLD-UPHRSURJSA-N
XLogP0.53
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-but-2-enoxy]propanoic acid
CID 10351812
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
(6E,9E,12E)-14-propoxytetradeca-6,9,12-trienoic acid
CID 87265285
3-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 167163889
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-sulfanylethoxy)propanoic acid
CID 19987106
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538
CID 172913435
CID 172913435
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
3-[(E)-but-2-enoxy]propanamide
CID 62276924

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-4-(2-carboxyethoxy)but-2-enoxy]propanoic acid?
The IUPAC name of 3-[(Z)-4-(2-carboxyethoxy)but-2-enoxy]propanoic acid (CID 88588608) is 3-[(Z)-4-(2-carboxyethoxy)but-2-enoxy]propanoic acid.
What is the SMILES notation for 3-[(Z)-4-(2-carboxyethoxy)but-2-enoxy]propanoic acid?
The canonical SMILES for 3-[(Z)-4-(2-carboxyethoxy)but-2-enoxy]propanoic acid is O=C(O)CCOC/C=C\COCCC(=O)O.
What is the InChIKey of 3-[(Z)-4-(2-carboxyethoxy)but-2-enoxy]propanoic acid?
The InChIKey is YMQYVJKEPGHLLD-UPHRSURJSA-N. The full InChI is InChI=1S/C10H16O6/c11-9(12)3-7-15-5-1-2-6-16-8-4-10(13)14/h1-2H,3-8H2,(H,11,12)(H,13,14)/b2-1-.
What are the key properties of 3-[(Z)-4-(2-carboxyethoxy)but-2-enoxy]propanoic acid?
3-[(Z)-4-(2-carboxyethoxy)but-2-enoxy]propanoic acid has a molecular weight of 232.23 g/mol, XLogP of 0.53, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-4-(2-carboxyethoxy)but-2-enoxy]propanoic acid is sourced from PubChem (CID 88588608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).