(Z)-2-methylbut-2-enedioic acid;pentanedioic acid

C10H14O8 — CID 175143944

IUPAC(Z)-2-methylbut-2-enedioic acid;pentanedioic acid
SMILESC/C(=C/C(=O)O)/C(=O)O.C(CC(=O)O)CC(=O)O
InChIInChI=1S/C5H6O4.C5H8O4/c1-3(5(8)9)2-4(6)7;6-4(7)2-1-3-5(8)9/h2H,1H3,(H,6,7)(H,8,9);1-3H2,(H,6,7)(H,8,9)/b3-2-;
InChIKeyNEAZEVASSIUMCQ-OLGQORCHSA-N
MW262.21 g/mol
LogP—
Rot. Bonds6

About (Z)-2-methylbut-2-enedioic acid;pentanedioic acid

(Z)-2-methylbut-2-enedioic acid;pentanedioic acid (PubChem CID 175143944) has the molecular formula C10H14O8 and a molecular weight of 262.21 g/mol. Its IUPAC name is (Z)-2-methylbut-2-enedioic acid;pentanedioic acid.

Molecular Properties

Compound Name(Z)-2-methylbut-2-enedioic acid;pentanedioic acid
PubChem CID175143944
Molecular FormulaC10H14O8
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC Name(Z)-2-methylbut-2-enedioic acid;pentanedioic acid
SMILESC/C(=C/C(=O)O)/C(=O)O.C(CC(=O)O)CC(=O)O
InChIInChI=1S/C5H6O4.C5H8O4/c1-3(5(8)9)2-4(6)7;6-4(7)2-1-3-5(8)9/h2H,1H3,(H,6,7)(H,8,9);1-3H2,(H,6,7)(H,8,9)/b3-2-;
InChIKeyNEAZEVASSIUMCQ-OLGQORCHSA-N
XLogP—
TPSA149.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity272

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methylbut-2-enedioic acid;pentanedioic acid?
The IUPAC name of (Z)-2-methylbut-2-enedioic acid;pentanedioic acid (CID 175143944) is (Z)-2-methylbut-2-enedioic acid;pentanedioic acid.
What is the SMILES notation for (Z)-2-methylbut-2-enedioic acid;pentanedioic acid?
The canonical SMILES for (Z)-2-methylbut-2-enedioic acid;pentanedioic acid is C/C(=C/C(=O)O)/C(=O)O.C(CC(=O)O)CC(=O)O.
What is the InChIKey of (Z)-2-methylbut-2-enedioic acid;pentanedioic acid?
The InChIKey is NEAZEVASSIUMCQ-OLGQORCHSA-N. The full InChI is InChI=1S/C5H6O4.C5H8O4/c1-3(5(8)9)2-4(6)7;6-4(7)2-1-3-5(8)9/h2H,1H3,(H,6,7)(H,8,9);1-3H2,(H,6,7)(H,8,9)/b3-2-;.
What are the key properties of (Z)-2-methylbut-2-enedioic acid;pentanedioic acid?
(Z)-2-methylbut-2-enedioic acid;pentanedioic acid has a molecular weight of 262.21 g/mol, XLogP of not available, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylbut-2-enedioic acid;pentanedioic acid is sourced from PubChem (CID 175143944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).