2-(2-ethylpent-2-enoyl)propanedioic acid

C10H14O5 — CID 73413581

IUPAC2-(2-ethylpent-2-enoyl)propanedioic acid
SMILESCCC=C(CC)C(=O)C(C(=O)O)C(=O)O
InChIInChI=1S/C10H14O5/c1-3-5-6(4-2)8(11)7(9(12)13)10(14)15/h5,7H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyRGHBHYHGHNNPOI-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.09
Rot. Bonds6

About 2-(2-ethylpent-2-enoyl)propanedioic acid

2-(2-ethylpent-2-enoyl)propanedioic acid (PubChem CID 73413581) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(2-ethylpent-2-enoyl)propanedioic acid.

Molecular Properties

Compound Name2-(2-ethylpent-2-enoyl)propanedioic acid
PubChem CID73413581
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name2-(2-ethylpent-2-enoyl)propanedioic acid
SMILESCCC=C(CC)C(=O)C(C(=O)O)C(=O)O
InChIInChI=1S/C10H14O5/c1-3-5-6(4-2)8(11)7(9(12)13)10(14)15/h5,7H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyRGHBHYHGHNNPOI-UHFFFAOYSA-N
XLogP1.09
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-hex-3-en-3-ylpropanedioic acid
CID 150181024
(3E,5E)-4,5-diethylocta-3,5-diene
CID 5368963
(Z)-2-ethyl-N-methylpent-2-enamide
CID 177053955
(Z)-2-(2-methylpropyl)pent-2-enoic acid
CID 18516543
2-propylpentanoic acid;2-propylpent-2-enoic acid
CID 161489381
2-(3-hydroxypropyl)pent-2-enoic acid
CID 88785343
(3E)-3-propylideneheptane-2,5-dione
CID 134924254
acetic acid;azane;(E)-hex-3-en-3-ol
CID 173148729
2-hydroxypent-2-enoic acid
CID 20977155
(E,3Z)-4-(aminomethyl)-3-propylidenehept-4-enoic acid
CID 144709720
4-methylidene-3-oxo-2-propanoylhexanoic acid
CID 123870221
2-ethyl-4-(3-methylbutan-2-ylamino)but-2-enoic acid
CID 103230423

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpent-2-enoyl)propanedioic acid?
The IUPAC name of 2-(2-ethylpent-2-enoyl)propanedioic acid (CID 73413581) is 2-(2-ethylpent-2-enoyl)propanedioic acid.
What is the SMILES notation for 2-(2-ethylpent-2-enoyl)propanedioic acid?
The canonical SMILES for 2-(2-ethylpent-2-enoyl)propanedioic acid is CCC=C(CC)C(=O)C(C(=O)O)C(=O)O.
What is the InChIKey of 2-(2-ethylpent-2-enoyl)propanedioic acid?
The InChIKey is RGHBHYHGHNNPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-3-5-6(4-2)8(11)7(9(12)13)10(14)15/h5,7H,3-4H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(2-ethylpent-2-enoyl)propanedioic acid?
2-(2-ethylpent-2-enoyl)propanedioic acid has a molecular weight of 214.22 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpent-2-enoyl)propanedioic acid is sourced from PubChem (CID 73413581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).