2-ethylidenepropanedioic acid

C5H6O4 — CID 15930801

IUPAC2-ethylidenepropanedioic acid
SMILESCC=C(C(=O)O)C(=O)O
InChIInChI=1S/C5H6O4/c1-2-3(4(6)7)5(8)9/h2H,1H3,(H,6,7)(H,8,9)
InChIKeyQAGHEHQMRFEQMB-UHFFFAOYSA-N
MW130.10 g/mol
LogP0.10
Rot. Bonds2

About 2-ethylidenepropanedioic acid

2-ethylidenepropanedioic acid (PubChem CID 15930801) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is 2-ethylidenepropanedioic acid.

Molecular Properties

Compound Name2-ethylidenepropanedioic acid
PubChem CID15930801
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name2-ethylidenepropanedioic acid
SMILESCC=C(C(=O)O)C(=O)O
InChIInChI=1S/C5H6O4/c1-2-3(4(6)7)5(8)9/h2H,1H3,(H,6,7)(H,8,9)
InChIKeyQAGHEHQMRFEQMB-UHFFFAOYSA-N
XLogP0.10
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

(E)-2-prop-1-en-2-ylbut-2-enoic acid
CID 89227365
(2E)-2-ethylidene-3,4-dimethylpent-3-enoic acid
CID 154666909
2-but-2-enylidenepropanedioic acid
CID 54310127
(2Z,3E)-2,3-bis[(E)-but-2-enylidene]butanedioic acid
CID 141155384
(2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid
CID 143656480
2-(2,2-dimethylpropylidene)propanedioic acid
CID 58916017
2-(1,1,2,2,2-pentafluoroethoxycarbonyl)but-2-enoic acid
CID 151447606
(2E,4Z)-2-[(E)-but-2-en-2-yl]-4-methylhexa-2,4-dienoic acid
CID 142310927
(2E)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid
CID 143334790
(2E,3Z)-3-amino-2-ethylidene-4-iodo-5-methylhexa-3,5-dienoic acid
CID 88853628
(E,2E)-3-[(1-aminoethenylamino)carbamoyl]-2-ethylidenepent-3-enoic acid
CID 138570744
2-(2-methylprop-2-enylidene)propanedioic acid
CID 87996037

Frequently Asked Questions

What is the IUPAC name of 2-ethylidenepropanedioic acid?
The IUPAC name of 2-ethylidenepropanedioic acid (CID 15930801) is 2-ethylidenepropanedioic acid.
What is the SMILES notation for 2-ethylidenepropanedioic acid?
The canonical SMILES for 2-ethylidenepropanedioic acid is CC=C(C(=O)O)C(=O)O.
What is the InChIKey of 2-ethylidenepropanedioic acid?
The InChIKey is QAGHEHQMRFEQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4/c1-2-3(4(6)7)5(8)9/h2H,1H3,(H,6,7)(H,8,9).
What are the key properties of 2-ethylidenepropanedioic acid?
2-ethylidenepropanedioic acid has a molecular weight of 130.10 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidenepropanedioic acid is sourced from PubChem (CID 15930801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).