(Z)-3-(2-hydroxyacetyl)pent-2-enedioic acid

C7H8O6 — CID 163903255

IUPAC(Z)-3-(2-hydroxyacetyl)pent-2-enedioic acid
SMILESO=C(O)/C=C(/CC(=O)O)C(=O)CO
InChIInChI=1S/C7H8O6/c8-3-5(9)4(1-6(10)11)2-7(12)13/h1,8H,2-3H2,(H,10,11)(H,12,13)/b4-1-
InChIKeySQSPOOUIXIPJDQ-RJRFIUFISA-N
MW188.13 g/mol
LogP-0.97
Rot. Bonds5

About (Z)-3-(2-hydroxyacetyl)pent-2-enedioic acid

(Z)-3-(2-hydroxyacetyl)pent-2-enedioic acid (PubChem CID 163903255) has the molecular formula C7H8O6 and a molecular weight of 188.13 g/mol. Its IUPAC name is (Z)-3-(2-hydroxyacetyl)pent-2-enedioic acid.

Molecular Properties

Compound Name(Z)-3-(2-hydroxyacetyl)pent-2-enedioic acid
PubChem CID163903255
Molecular FormulaC7H8O6
Molecular Weight188.13 g/mol
Exact Mass188.03
IUPAC Name(Z)-3-(2-hydroxyacetyl)pent-2-enedioic acid
SMILESO=C(O)/C=C(/CC(=O)O)C(=O)CO
InChIInChI=1S/C7H8O6/c8-3-5(9)4(1-6(10)11)2-7(12)13/h1,8H,2-3H2,(H,10,11)(H,12,13)/b4-1-
InChIKeySQSPOOUIXIPJDQ-RJRFIUFISA-N
XLogP-0.97
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;(Z)-2-(hydroxymethyl)but-2-enedioic acid
CID 173371480
3-(hydroxymethyl)-4-(methylamino)-4-oxobut-2-enoic acid
CID 154089719
pent-2-enedioic acid;prop-1-ene-1,2,3-tricarboxylic acid
CID 175202783
benzene-1,3,5-tricarboxylic acid;prop-1-ene-1,2,3-tricarboxylic acid
CID 175105263
(2Z)-2-[2-(hydroxyamino)-2-oxoethylidene]butanedioic acid
CID 163903254
hexa-2,4-dienoic acid;prop-1-ene-1,2,3-tricarboxylic acid
CID 88845188
(Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid
CID 5280779
benzenesulfonic acid;prop-1-ene-1,2,3-tricarboxylic acid
CID 175326169
3-methoxypent-2-enedioic acid
CID 86011063
(Z)-but-2-enedioic acid;propanedioic acid
CID 87190676
(Z)-3-amino-4-hydroxybut-2-enoic acid
CID 55291219
(2Z)-2-(fluoromethylidene)butanedioic acid
CID 155605654

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-hydroxyacetyl)pent-2-enedioic acid?
The IUPAC name of (Z)-3-(2-hydroxyacetyl)pent-2-enedioic acid (CID 163903255) is (Z)-3-(2-hydroxyacetyl)pent-2-enedioic acid.
What is the SMILES notation for (Z)-3-(2-hydroxyacetyl)pent-2-enedioic acid?
The canonical SMILES for (Z)-3-(2-hydroxyacetyl)pent-2-enedioic acid is O=C(O)/C=C(/CC(=O)O)C(=O)CO.
What is the InChIKey of (Z)-3-(2-hydroxyacetyl)pent-2-enedioic acid?
The InChIKey is SQSPOOUIXIPJDQ-RJRFIUFISA-N. The full InChI is InChI=1S/C7H8O6/c8-3-5(9)4(1-6(10)11)2-7(12)13/h1,8H,2-3H2,(H,10,11)(H,12,13)/b4-1-.
What are the key properties of (Z)-3-(2-hydroxyacetyl)pent-2-enedioic acid?
(Z)-3-(2-hydroxyacetyl)pent-2-enedioic acid has a molecular weight of 188.13 g/mol, XLogP of -0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-hydroxyacetyl)pent-2-enedioic acid is sourced from PubChem (CID 163903255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).