(E)-2,3-dihydroxypent-3-enoic acid

C5H8O4 — CID 173482336

IUPAC(E)-2,3-dihydroxypent-3-enoic acid
SMILESC/C=C(/O)C(O)C(=O)O
InChIInChI=1S/C5H8O4/c1-2-3(6)4(7)5(8)9/h2,4,6-7H,1H3,(H,8,9)/b3-2+
InChIKeyGHQLBHLUOMYPCD-NSCUHMNNSA-N
MW132.11 g/mol
LogP-0.11
Rot. Bonds2

About (E)-2,3-dihydroxypent-3-enoic acid

(E)-2,3-dihydroxypent-3-enoic acid (PubChem CID 173482336) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is (E)-2,3-dihydroxypent-3-enoic acid.

Molecular Properties

Compound Name(E)-2,3-dihydroxypent-3-enoic acid
PubChem CID173482336
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name(E)-2,3-dihydroxypent-3-enoic acid
SMILESC/C=C(/O)C(O)C(=O)O
InChIInChI=1S/C5H8O4/c1-2-3(6)4(7)5(8)9/h2,4,6-7H,1H3,(H,8,9)/b3-2+
InChIKeyGHQLBHLUOMYPCD-NSCUHMNNSA-N
XLogP-0.11
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-hydroxy-3-oxobutanoic acid
CID 45085131
2,3-dihydroxy-4-phenylbut-3-enoic acid
CID 70396355
2,3-dihydroxybutanedioic acid;prop-1-ene
CID 172844787
2,3-dihydroxy-4-methylpent-3-enoic acid
CID 21297227
(3E,4Z)-3-ethylidene-2-hydroxyhepta-4,6-dienoic acid
CID 142066465
2-hydroxy-3-oxopentanoic acid
CID 71338185
2-hydroxypropanoic acid
CID 87075455
(Z)-but-2-enedioic acid;2,3-dihydroxybutanedioic acid;2-hydroxypropanedioic acid;2-hydroxypropanoic acid
CID 173180589
lithium 2,3-dihydroxy-3-oxopropanoate
CID 140653273
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
2-hydroxypropanoic acid;mercury
CID 88512020
pentaheptacontacalcium;(2-hydroxypropanoic acid)
CID 173046474

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-dihydroxypent-3-enoic acid?
The IUPAC name of (E)-2,3-dihydroxypent-3-enoic acid (CID 173482336) is (E)-2,3-dihydroxypent-3-enoic acid.
What is the SMILES notation for (E)-2,3-dihydroxypent-3-enoic acid?
The canonical SMILES for (E)-2,3-dihydroxypent-3-enoic acid is C/C=C(/O)C(O)C(=O)O.
What is the InChIKey of (E)-2,3-dihydroxypent-3-enoic acid?
The InChIKey is GHQLBHLUOMYPCD-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H8O4/c1-2-3(6)4(7)5(8)9/h2,4,6-7H,1H3,(H,8,9)/b3-2+.
What are the key properties of (E)-2,3-dihydroxypent-3-enoic acid?
(E)-2,3-dihydroxypent-3-enoic acid has a molecular weight of 132.11 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-dihydroxypent-3-enoic acid is sourced from PubChem (CID 173482336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).