2-(2-hydroxyprop-2-enoxy)acetic acid

C5H8O4 — CID 59294122

IUPAC2-(2-hydroxyprop-2-enoxy)acetic acid
SMILESC=C(O)COCC(=O)O
InChIInChI=1S/C5H8O4/c1-4(6)2-9-3-5(7)8/h6H,1-3H2,(H,7,8)
InChIKeyUEUBFKKOPLSNLC-UHFFFAOYSA-N
MW132.11 g/mol
LogP0.16
Rot. Bonds4

About 2-(2-hydroxyprop-2-enoxy)acetic acid

2-(2-hydroxyprop-2-enoxy)acetic acid (PubChem CID 59294122) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is 2-(2-hydroxyprop-2-enoxy)acetic acid.

Molecular Properties

Compound Name2-(2-hydroxyprop-2-enoxy)acetic acid
PubChem CID59294122
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name2-(2-hydroxyprop-2-enoxy)acetic acid
SMILESC=C(O)COCC(=O)O
InChIInChI=1S/C5H8O4/c1-4(6)2-9-3-5(7)8/h6H,1-3H2,(H,7,8)
InChIKeyUEUBFKKOPLSNLC-UHFFFAOYSA-N
XLogP0.16
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(carboxymethoxy)acetic acid;sulfane
CID 158807579
2-(carboxymethoxy)acetic acid;hydrochloride
CID 174705448
3-(2-hydroxyprop-2-enoxy)prop-1-en-2-ol
CID 19101885
2-(2-chloroprop-2-enoxy)acetic acid
CID 112692961
3-[2-(carboxymethyl)prop-2-enoxymethyl]but-3-enoic acid
CID 71405308
2-ethoxyacetic acid
CID 159744705
2-(fluoromethoxy)acetic acid
CID 162467662
2-(carboxymethoxy)acetic acid;ethane-1,2-diol;isocyanic acid
CID 173467426
2-(carboxymethylperoxy)acetic acid;ethene
CID 118878426
2-[3-(carboxymethoxy)-2,2-bis(carboxymethoxymethyl)propoxy]acetic acid
CID 12729088
carbonic acid;2-ethoxyacetic acid
CID 174869478
2-(2-ethoxy-2-oxoethoxy)acetic acid
CID 11305696

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyprop-2-enoxy)acetic acid?
The IUPAC name of 2-(2-hydroxyprop-2-enoxy)acetic acid (CID 59294122) is 2-(2-hydroxyprop-2-enoxy)acetic acid.
What is the SMILES notation for 2-(2-hydroxyprop-2-enoxy)acetic acid?
The canonical SMILES for 2-(2-hydroxyprop-2-enoxy)acetic acid is C=C(O)COCC(=O)O.
What is the InChIKey of 2-(2-hydroxyprop-2-enoxy)acetic acid?
The InChIKey is UEUBFKKOPLSNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c1-4(6)2-9-3-5(7)8/h6H,1-3H2,(H,7,8).
What are the key properties of 2-(2-hydroxyprop-2-enoxy)acetic acid?
2-(2-hydroxyprop-2-enoxy)acetic acid has a molecular weight of 132.11 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyprop-2-enoxy)acetic acid is sourced from PubChem (CID 59294122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).