(2R,3R)-2-hydroxy-2,3-dimethylpent-4-enoic acid

C7H12O3 — CID 13026555

IUPAC(2R,3R)-2-hydroxy-2,3-dimethylpent-4-enoic acid
SMILESC=C[C@@H](C)[C@@](C)(O)C(=O)O
InChIInChI=1S/C7H12O3/c1-4-5(2)7(3,10)6(8)9/h4-5,10H,1H2,2-3H3,(H,8,9)/t5-,7-/m1/s1
InChIKeyPYXQIRRBOUWCLO-IYSWYEEDSA-N
MW144.17 g/mol
LogP0.64
Rot. Bonds3

About (2R,3R)-2-hydroxy-2,3-dimethylpent-4-enoic acid

(2R,3R)-2-hydroxy-2,3-dimethylpent-4-enoic acid (PubChem CID 13026555) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2R,3R)-2-hydroxy-2,3-dimethylpent-4-enoic acid.

Molecular Properties

Compound Name(2R,3R)-2-hydroxy-2,3-dimethylpent-4-enoic acid
PubChem CID13026555
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(2R,3R)-2-hydroxy-2,3-dimethylpent-4-enoic acid
SMILESC=C[C@@H](C)[C@@](C)(O)C(=O)O
InChIInChI=1S/C7H12O3/c1-4-5(2)7(3,10)6(8)9/h4-5,10H,1H2,2-3H3,(H,8,9)/t5-,7-/m1/s1
InChIKeyPYXQIRRBOUWCLO-IYSWYEEDSA-N
XLogP0.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.64
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,3R)-2-hydroxy-2,3-dimethylpent-4-enoic acid?
The IUPAC name of (2R,3R)-2-hydroxy-2,3-dimethylpent-4-enoic acid (CID 13026555) is (2R,3R)-2-hydroxy-2,3-dimethylpent-4-enoic acid.
What is the SMILES notation for (2R,3R)-2-hydroxy-2,3-dimethylpent-4-enoic acid?
The canonical SMILES for (2R,3R)-2-hydroxy-2,3-dimethylpent-4-enoic acid is C=C[C@@H](C)[C@@](C)(O)C(=O)O.
What is the InChIKey of (2R,3R)-2-hydroxy-2,3-dimethylpent-4-enoic acid?
The InChIKey is PYXQIRRBOUWCLO-IYSWYEEDSA-N. The full InChI is InChI=1S/C7H12O3/c1-4-5(2)7(3,10)6(8)9/h4-5,10H,1H2,2-3H3,(H,8,9)/t5-,7-/m1/s1.
What are the key properties of (2R,3R)-2-hydroxy-2,3-dimethylpent-4-enoic acid?
(2R,3R)-2-hydroxy-2,3-dimethylpent-4-enoic acid has a molecular weight of 144.17 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-hydroxy-2,3-dimethylpent-4-enoic acid is sourced from PubChem (CID 13026555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).