(Z)-but-2-enedioic acid;2-hydroxybutanedioic acid

C8H10O9 — CID 87256588

IUPAC(Z)-but-2-enedioic acid;2-hydroxybutanedioic acid
SMILESO=C(O)/C=C\C(=O)O.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C4H6O5.C4H4O4/c5-2(4(8)9)1-3(6)7;5-3(6)1-2-4(7)8/h2,5H,1H2,(H,6,7)(H,8,9);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyKPKNKBMTKJSYQP-BTJKTKAUSA-N
MW250.16 g/mol
LogP-1.38
Rot. Bonds5

About (Z)-but-2-enedioic acid;2-hydroxybutanedioic acid

(Z)-but-2-enedioic acid;2-hydroxybutanedioic acid (PubChem CID 87256588) has the molecular formula C8H10O9 and a molecular weight of 250.16 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;2-hydroxybutanedioic acid.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;2-hydroxybutanedioic acid
PubChem CID87256588
Molecular FormulaC8H10O9
Molecular Weight250.16 g/mol
Exact Mass250.03
IUPAC Name(Z)-but-2-enedioic acid;2-hydroxybutanedioic acid
SMILESO=C(O)/C=C\C(=O)O.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C4H6O5.C4H4O4/c5-2(4(8)9)1-3(6)7;5-3(6)1-2-4(7)8/h2,5H,1H2,(H,6,7)(H,8,9);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyKPKNKBMTKJSYQP-BTJKTKAUSA-N
XLogP-1.38
TPSA169.43 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 5-1.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

cobalt;2-hydroxybutanedioic acid
CID 87544145
carbonic acid;2-hydroxybutanedioic acid
CID 160732172
2-hydroxybutanedioic acid;iron
CID 174146167
acetic acid;copper;2-hydroxybutanedioic acid
CID 175107089
2-hydroxybutanedioic acid;hydrate;hydrochloride
CID 172717640
azane;bismuthane;2-hydroxybutanedioic acid
CID 173447177
boric acid;bis(2-hydroxybutanedioic acid)
CID 175869930
(Z)-but-2-enedioic acid;bis(2,3-dihydroxypropanoic acid)
CID 162142261
2-aminoacetic acid;2-hydroxybutanedioic acid
CID 87750134
2-hydroxybutanedioic acid;prop-2-en-1-ol
CID 90283079
sodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide
CID 173385796
ethanethioic S-acid;2-hydroxybutanedioic acid
CID 174988031

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;2-hydroxybutanedioic acid?
The IUPAC name of (Z)-but-2-enedioic acid;2-hydroxybutanedioic acid (CID 87256588) is (Z)-but-2-enedioic acid;2-hydroxybutanedioic acid.
What is the SMILES notation for (Z)-but-2-enedioic acid;2-hydroxybutanedioic acid?
The canonical SMILES for (Z)-but-2-enedioic acid;2-hydroxybutanedioic acid is O=C(O)/C=C\C(=O)O.O=C(O)CC(O)C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;2-hydroxybutanedioic acid?
The InChIKey is KPKNKBMTKJSYQP-BTJKTKAUSA-N. The full InChI is InChI=1S/C4H6O5.C4H4O4/c5-2(4(8)9)1-3(6)7;5-3(6)1-2-4(7)8/h2,5H,1H2,(H,6,7)(H,8,9);1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;2-hydroxybutanedioic acid?
(Z)-but-2-enedioic acid;2-hydroxybutanedioic acid has a molecular weight of 250.16 g/mol, XLogP of -1.38, 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;2-hydroxybutanedioic acid is sourced from PubChem (CID 87256588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).