(E)-2-(1-hydroxyethyl)but-2-enoic acid

C6H10O3 — CID 14739280

IUPAC(E)-2-(1-hydroxyethyl)but-2-enoic acid
SMILESC/C=C(/C(=O)O)C(C)O
InChIInChI=1S/C6H10O3/c1-3-5(4(2)7)6(8)9/h3-4,7H,1-2H3,(H,8,9)/b5-3+
InChIKeyUSGUUIDQMKIDCI-HWKANZROSA-N
MW130.14 g/mol
LogP0.40
Rot. Bonds2

About (E)-2-(1-hydroxyethyl)but-2-enoic acid

(E)-2-(1-hydroxyethyl)but-2-enoic acid (PubChem CID 14739280) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (E)-2-(1-hydroxyethyl)but-2-enoic acid.

Molecular Properties

Compound Name(E)-2-(1-hydroxyethyl)but-2-enoic acid
PubChem CID14739280
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(E)-2-(1-hydroxyethyl)but-2-enoic acid
SMILESC/C=C(/C(=O)O)C(C)O
InChIInChI=1S/C6H10O3/c1-3-5(4(2)7)6(8)9/h3-4,7H,1-2H3,(H,8,9)/b5-3+
InChIKeyUSGUUIDQMKIDCI-HWKANZROSA-N
XLogP0.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-sulfanylethyl)but-2-enoic acid
CID 174683395
2-ethylidene-3-methylpentanoic acid
CID 53446763
(Z)-2,3-bis(1-hydroxyethyl)but-2-enedioic acid
CID 23312433
2-hydroxypropanoic acid
CID 87075455
bis(2-hydroxypropanoic acid);titanium
CID 173417954
2-hydroxypropanoic acid;tetrahydrate
CID 141343914
CID 131877347
CID 131877347
2-hydroxypropanoic acid;mercury
CID 88512020
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
CID 123133976
CID 123133976
tetrakis(2-hydroxypropanoic acid);manganese
CID 167442579
CID 11776805
CID 11776805

Frequently Asked Questions

What is the IUPAC name of (E)-2-(1-hydroxyethyl)but-2-enoic acid?
The IUPAC name of (E)-2-(1-hydroxyethyl)but-2-enoic acid (CID 14739280) is (E)-2-(1-hydroxyethyl)but-2-enoic acid.
What is the SMILES notation for (E)-2-(1-hydroxyethyl)but-2-enoic acid?
The canonical SMILES for (E)-2-(1-hydroxyethyl)but-2-enoic acid is C/C=C(/C(=O)O)C(C)O.
What is the InChIKey of (E)-2-(1-hydroxyethyl)but-2-enoic acid?
The InChIKey is USGUUIDQMKIDCI-HWKANZROSA-N. The full InChI is InChI=1S/C6H10O3/c1-3-5(4(2)7)6(8)9/h3-4,7H,1-2H3,(H,8,9)/b5-3+.
What are the key properties of (E)-2-(1-hydroxyethyl)but-2-enoic acid?
(E)-2-(1-hydroxyethyl)but-2-enoic acid has a molecular weight of 130.14 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1-hydroxyethyl)but-2-enoic acid is sourced from PubChem (CID 14739280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).