(Z)-4-(2-hydroxypropanoyloxy)-4-oxobut-2-enoic acid;prop-2-enoic acid

C10H12O8 — CID 175355038

IUPAC(Z)-4-(2-hydroxypropanoyloxy)-4-oxobut-2-enoic acid;prop-2-enoic acid
SMILESC=CC(=O)O.CC(O)C(=O)OC(=O)/C=C\C(=O)O
InChIInChI=1S/C7H8O6.C3H4O2/c1-4(8)7(12)13-6(11)3-2-5(9)10;1-2-3(4)5/h2-4,8H,1H3,(H,9,10);2H,1H2,(H,4,5)/b3-2-;
InChIKeyWTZMQHATZQBQLH-OLGQORCHSA-N
MW260.20 g/mol
LogP-0.67
Rot. Bonds4

About (Z)-4-(2-hydroxypropanoyloxy)-4-oxobut-2-enoic acid;prop-2-enoic acid

(Z)-4-(2-hydroxypropanoyloxy)-4-oxobut-2-enoic acid;prop-2-enoic acid (PubChem CID 175355038) has the molecular formula C10H12O8 and a molecular weight of 260.20 g/mol. Its IUPAC name is (Z)-4-(2-hydroxypropanoyloxy)-4-oxobut-2-enoic acid;prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(2-hydroxypropanoyloxy)-4-oxobut-2-enoic acid;prop-2-enoic acid
PubChem CID175355038
Molecular FormulaC10H12O8
Molecular Weight260.20 g/mol
Exact Mass260.05
IUPAC Name(Z)-4-(2-hydroxypropanoyloxy)-4-oxobut-2-enoic acid;prop-2-enoic acid
SMILESC=CC(=O)O.CC(O)C(=O)OC(=O)/C=C\C(=O)O
InChIInChI=1S/C7H8O6.C3H4O2/c1-4(8)7(12)13-6(11)3-2-5(9)10;1-2-3(4)5/h2-4,8H,1H3,(H,9,10);2H,1H2,(H,4,5)/b3-2-;
InChIKeyWTZMQHATZQBQLH-OLGQORCHSA-N
XLogP-0.67
TPSA138.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-hydroxypropanoyloxy)-4-oxobut-2-enoic acid
CID 154353542
(Z)-4-acetyloxy-4-oxobut-2-enoic acid;prop-2-enoic acid
CID 157496128
tris(propan-2-ol);prop-2-enoic acid;titanium
CID 19993431
bis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid
CID 172820992
(Z)-but-2-enedioic acid;2-hydroxypropanoic acid
CID 87151083
hydrazine;bis(prop-2-enoic acid)
CID 160974981
(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoic acid
CID 90382332
bis(2-aminopropanoyl) (Z)-but-2-enedioate
CID 90107936
4-(2-hydroxydodecanoyloxy)-4-oxobut-2-enoic acid
CID 173461660
calcium;(Z)-but-2-enedioic acid;hydride;prop-2-enoic acid
CID 175078165
(Z)-but-2-enedioic acid;bis(methyl prop-2-enoate)
CID 174373219
(E)-4-[(2R)-2-hydroxy-2-phenylacetyl]oxy-4-oxobut-2-enoic acid
CID 87746936

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-hydroxypropanoyloxy)-4-oxobut-2-enoic acid;prop-2-enoic acid?
The IUPAC name of (Z)-4-(2-hydroxypropanoyloxy)-4-oxobut-2-enoic acid;prop-2-enoic acid (CID 175355038) is (Z)-4-(2-hydroxypropanoyloxy)-4-oxobut-2-enoic acid;prop-2-enoic acid.
What is the SMILES notation for (Z)-4-(2-hydroxypropanoyloxy)-4-oxobut-2-enoic acid;prop-2-enoic acid?
The canonical SMILES for (Z)-4-(2-hydroxypropanoyloxy)-4-oxobut-2-enoic acid;prop-2-enoic acid is C=CC(=O)O.CC(O)C(=O)OC(=O)/C=C\C(=O)O.
What is the InChIKey of (Z)-4-(2-hydroxypropanoyloxy)-4-oxobut-2-enoic acid;prop-2-enoic acid?
The InChIKey is WTZMQHATZQBQLH-OLGQORCHSA-N. The full InChI is InChI=1S/C7H8O6.C3H4O2/c1-4(8)7(12)13-6(11)3-2-5(9)10;1-2-3(4)5/h2-4,8H,1H3,(H,9,10);2H,1H2,(H,4,5)/b3-2-;.
What are the key properties of (Z)-4-(2-hydroxypropanoyloxy)-4-oxobut-2-enoic acid;prop-2-enoic acid?
(Z)-4-(2-hydroxypropanoyloxy)-4-oxobut-2-enoic acid;prop-2-enoic acid has a molecular weight of 260.20 g/mol, XLogP of -0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-hydroxypropanoyloxy)-4-oxobut-2-enoic acid;prop-2-enoic acid is sourced from PubChem (CID 175355038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).