(2R)-2-hydroxy-3-methylbut-3-enoic acid

C5H8O3 — CID 10176128

IUPAC(2R)-2-hydroxy-3-methylbut-3-enoic acid
SMILESC=C(C)[C@@H](O)C(=O)O
InChIInChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h4,6H,1H2,2H3,(H,7,8)/t4-/m1/s1
InChIKeyLXZWIDSMVHMLCL-SCSAIBSYSA-N
MW116.12 g/mol
LogP0.01
Rot. Bonds2

About (2R)-2-hydroxy-3-methylbut-3-enoic acid

(2R)-2-hydroxy-3-methylbut-3-enoic acid (PubChem CID 10176128) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (2R)-2-hydroxy-3-methylbut-3-enoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-3-methylbut-3-enoic acid
PubChem CID10176128
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(2R)-2-hydroxy-3-methylbut-3-enoic acid
SMILESC=C(C)[C@@H](O)C(=O)O
InChIInChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h4,6H,1H2,2H3,(H,7,8)/t4-/m1/s1
InChIKeyLXZWIDSMVHMLCL-SCSAIBSYSA-N
XLogP0.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3-methylbut-3-enoic acid?
The IUPAC name of (2R)-2-hydroxy-3-methylbut-3-enoic acid (CID 10176128) is (2R)-2-hydroxy-3-methylbut-3-enoic acid.
What is the SMILES notation for (2R)-2-hydroxy-3-methylbut-3-enoic acid?
The canonical SMILES for (2R)-2-hydroxy-3-methylbut-3-enoic acid is C=C(C)[C@@H](O)C(=O)O.
What is the InChIKey of (2R)-2-hydroxy-3-methylbut-3-enoic acid?
The InChIKey is LXZWIDSMVHMLCL-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h4,6H,1H2,2H3,(H,7,8)/t4-/m1/s1.
What are the key properties of (2R)-2-hydroxy-3-methylbut-3-enoic acid?
(2R)-2-hydroxy-3-methylbut-3-enoic acid has a molecular weight of 116.12 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-3-methylbut-3-enoic acid is sourced from PubChem (CID 10176128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).