(Z)-but-2-enedioic acid;propanedioic acid;propanoic acid

C10H14O10 — CID 162035995

IUPAC(Z)-but-2-enedioic acid;propanedioic acid;propanoic acid
SMILESCCC(=O)O.O=C(O)/C=C\C(=O)O.O=C(O)CC(=O)O
InChIInChI=1S/C4H4O4.C3H4O4.C3H6O2/c5-3(6)1-2-4(7)8;4-2(5)1-3(6)7;1-2-3(4)5/h1-2H,(H,5,6)(H,7,8);1H2,(H,4,5)(H,6,7);2H2,1H3,(H,4,5)/b2-1-;;
InChIKeyYWQOAZVTPXJZIA-UAIGNFCESA-N
MW294.21 g/mol
LogP-0.26
Rot. Bonds5

About (Z)-but-2-enedioic acid;propanedioic acid;propanoic acid

(Z)-but-2-enedioic acid;propanedioic acid;propanoic acid (PubChem CID 162035995) has the molecular formula C10H14O10 and a molecular weight of 294.21 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;propanedioic acid;propanoic acid.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;propanedioic acid;propanoic acid
PubChem CID162035995
Molecular FormulaC10H14O10
Molecular Weight294.21 g/mol
Exact Mass294.06
IUPAC Name(Z)-but-2-enedioic acid;propanedioic acid;propanoic acid
SMILESCCC(=O)O.O=C(O)/C=C\C(=O)O.O=C(O)CC(=O)O
InChIInChI=1S/C4H4O4.C3H4O4.C3H6O2/c5-3(6)1-2-4(7)8;4-2(5)1-3(6)7;1-2-3(4)5/h1-2H,(H,5,6)(H,7,8);1H2,(H,4,5)(H,6,7);2H2,1H3,(H,4,5)/b2-1-;;
InChIKeyYWQOAZVTPXJZIA-UAIGNFCESA-N
XLogP-0.26
TPSA186.50 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;propanedioic acid;propanoic acid?
The IUPAC name of (Z)-but-2-enedioic acid;propanedioic acid;propanoic acid (CID 162035995) is (Z)-but-2-enedioic acid;propanedioic acid;propanoic acid.
What is the SMILES notation for (Z)-but-2-enedioic acid;propanedioic acid;propanoic acid?
The canonical SMILES for (Z)-but-2-enedioic acid;propanedioic acid;propanoic acid is CCC(=O)O.O=C(O)/C=C\C(=O)O.O=C(O)CC(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;propanedioic acid;propanoic acid?
The InChIKey is YWQOAZVTPXJZIA-UAIGNFCESA-N. The full InChI is InChI=1S/C4H4O4.C3H4O4.C3H6O2/c5-3(6)1-2-4(7)8;4-2(5)1-3(6)7;1-2-3(4)5/h1-2H,(H,5,6)(H,7,8);1H2,(H,4,5)(H,6,7);2H2,1H3,(H,4,5)/b2-1-;;.
What are the key properties of (Z)-but-2-enedioic acid;propanedioic acid;propanoic acid?
(Z)-but-2-enedioic acid;propanedioic acid;propanoic acid has a molecular weight of 294.21 g/mol, XLogP of -0.26, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;propanedioic acid;propanoic acid is sourced from PubChem (CID 162035995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).