2-ethyl-2,3-dihydroxy-4-methylpent-3-enoic acid

C8H14O4 — CID 174527382

IUPAC2-ethyl-2,3-dihydroxy-4-methylpent-3-enoic acid
SMILESCCC(O)(C(=O)O)C(O)=C(C)C
InChIInChI=1S/C8H14O4/c1-4-8(12,7(10)11)6(9)5(2)3/h9,12H,4H2,1-3H3,(H,10,11)
InChIKeyMMJIYUAGIVPOMZ-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.06
Rot. Bonds3

About 2-ethyl-2,3-dihydroxy-4-methylpent-3-enoic acid

2-ethyl-2,3-dihydroxy-4-methylpent-3-enoic acid (PubChem CID 174527382) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-ethyl-2,3-dihydroxy-4-methylpent-3-enoic acid.

Molecular Properties

Compound Name2-ethyl-2,3-dihydroxy-4-methylpent-3-enoic acid
PubChem CID174527382
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-ethyl-2,3-dihydroxy-4-methylpent-3-enoic acid
SMILESCCC(O)(C(=O)O)C(O)=C(C)C
InChIInChI=1S/C8H14O4/c1-4-8(12,7(10)11)6(9)5(2)3/h9,12H,4H2,1-3H3,(H,10,11)
InChIKeyMMJIYUAGIVPOMZ-UHFFFAOYSA-N
XLogP1.06
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethyl-2,3-dihydroxy-4-methylpent-3-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid
CID 87110855
2-ethyl-2-hydroxy-3,4-dioxobutanoic acid
CID 174981492
4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid;azane
CID 173280031
acetic acid;2,2-diethylbutanoic acid
CID 162011618
2-acetyl-2-hydroxypentanedioic acid
CID 88870171
2,2,3,3-tetraethylbutanedioic acid
CID 23424098
bis(2-ethyl-2-hydroxybutanoic acid);oxochromium
CID 10991103
2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid
CID 88755093
2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid
CID 83694809
azane;2,2-diethylbutanoic acid
CID 173369262
acetic acid;bis(1,1,1-trichloropropane)
CID 173372937
acetic acid;1,1,1-trichloropropane
CID 173429794

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3-dihydroxy-4-methylpent-3-enoic acid?
The IUPAC name of 2-ethyl-2,3-dihydroxy-4-methylpent-3-enoic acid (CID 174527382) is 2-ethyl-2,3-dihydroxy-4-methylpent-3-enoic acid.
What is the SMILES notation for 2-ethyl-2,3-dihydroxy-4-methylpent-3-enoic acid?
The canonical SMILES for 2-ethyl-2,3-dihydroxy-4-methylpent-3-enoic acid is CCC(O)(C(=O)O)C(O)=C(C)C.
What is the InChIKey of 2-ethyl-2,3-dihydroxy-4-methylpent-3-enoic acid?
The InChIKey is MMJIYUAGIVPOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-4-8(12,7(10)11)6(9)5(2)3/h9,12H,4H2,1-3H3,(H,10,11).
What are the key properties of 2-ethyl-2,3-dihydroxy-4-methylpent-3-enoic acid?
2-ethyl-2,3-dihydroxy-4-methylpent-3-enoic acid has a molecular weight of 174.20 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3-dihydroxy-4-methylpent-3-enoic acid is sourced from PubChem (CID 174527382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).