(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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Related Compounds

(2R,3S)-2-hydroxy-2,3-dimethylpent-4-enoic acid
CID 13026554
2,3-dimethyl-2-(methylcarbamoyl)pent-4-enoic acid
CID 114900087
(3S,4S)-3-hydroxy-3,4-dimethyl-1-piperidin-1-ylhex-5-ene-1,2-dione
CID 102490545
(2R)-2-hydroxy-2,3-dimethylbutanedioic acid
CID 87312032
2-but-3-en-2-yloxy-2-hydroxypropanoic acid
CID 175010207
2-[but-3-en-2-yl(methyl)amino]-2-methylpropanoic acid
CID 62819782
2-hydroxy-3-methyl-2-phenylpent-4-enoic acid
CID 13026557
2,4-dimethyl-3-propan-2-ylhex-5-en-3-ol
CID 11263753
(2S)-2-hydroxy-2,3-dimethyl-4-methylidenepentanedioic acid
CID 89306236
N-(2,3-dimethylpent-4-en-2-yl)acetamide
CID 143357201
2-but-3-en-2-yloxy-2-methylpropanoic acid
CID 146545300
2-hydroxypropane-1,1,2-tricarboxylic acid
CID 15842075

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).