2-(2-hydroxyethyl)but-3-enoic acid

C6H10O3 — CID 54339162

IUPAC2-(2-hydroxyethyl)but-3-enoic acid
SMILESC=CC(CCO)C(=O)O
InChIInChI=1S/C6H10O3/c1-2-5(3-4-7)6(8)9/h2,5,7H,1,3-4H2,(H,8,9)
InChIKeyTXSBWJOGTSRUKD-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.26
Rot. Bonds4

About 2-(2-hydroxyethyl)but-3-enoic acid

2-(2-hydroxyethyl)but-3-enoic acid (PubChem CID 54339162) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)but-3-enoic acid.

Molecular Properties

Compound Name2-(2-hydroxyethyl)but-3-enoic acid
PubChem CID54339162
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2-(2-hydroxyethyl)but-3-enoic acid
SMILESC=CC(CCO)C(=O)O
InChIInChI=1S/C6H10O3/c1-2-5(3-4-7)6(8)9/h2,5,7H,1,3-4H2,(H,8,9)
InChIKeyTXSBWJOGTSRUKD-UHFFFAOYSA-N
XLogP0.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylbut-3-enoic acid
CID 18793227
2-Ethenylbutanedioic acid
CID 14325576
2-Vinyl-4-pentenoic acid
CID 15355370
(R)-2-Ethylbut-3-enoic acid
CID 55298948
3-Ethenylpent-4-enoic acid
CID 12688320
(1S,4R)-4-(hydroxymethyl)cyclobut-2-ene-1-carboxylic acid
CID 55301043
CID 130907074
CID 130907074
Ethyl 3-(hydroxymethyl)pent-4-enoate
CID 134853061
2-(Hydroxymethyl)pent-4-enoic acid
CID 14815888
Methyl-4-hydroxy-3-vinylbutyrate
CID 18918398
2-(2,3-Dihydrofuran-3-yl)acetic acid
CID 22131869
3-Ethenoxycarbonylpent-4-enoic acid
CID 23373284

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)but-3-enoic acid?
The IUPAC name of 2-(2-hydroxyethyl)but-3-enoic acid (CID 54339162) is 2-(2-hydroxyethyl)but-3-enoic acid.
What is the SMILES notation for 2-(2-hydroxyethyl)but-3-enoic acid?
The canonical SMILES for 2-(2-hydroxyethyl)but-3-enoic acid is C=CC(CCO)C(=O)O.
What is the InChIKey of 2-(2-hydroxyethyl)but-3-enoic acid?
The InChIKey is TXSBWJOGTSRUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-2-5(3-4-7)6(8)9/h2,5,7H,1,3-4H2,(H,8,9).
What are the key properties of 2-(2-hydroxyethyl)but-3-enoic acid?
2-(2-hydroxyethyl)but-3-enoic acid has a molecular weight of 130.14 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)but-3-enoic acid is sourced from PubChem (CID 54339162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).