(2R,3R)-3-chloro-2-hydroxy-2-methylbutanoic acid

C5H9ClO3 — CID 131187418

IUPAC(2R,3R)-3-chloro-2-hydroxy-2-methylbutanoic acid
SMILESC[C@@H](Cl)[C@](C)(O)C(=O)O
InChIInChI=1S/C5H9ClO3/c1-3(6)5(2,9)4(7)8/h3,9H,1-2H3,(H,7,8)/t3-,5+/m1/s1
InChIKeyUGPDHUJUDWAYHB-WUJLRWPWSA-N
MW152.58 g/mol
LogP0.45
Rot. Bonds2

About (2R,3R)-3-chloro-2-hydroxy-2-methylbutanoic acid

(2R,3R)-3-chloro-2-hydroxy-2-methylbutanoic acid (PubChem CID 131187418) has the molecular formula C5H9ClO3 and a molecular weight of 152.58 g/mol. Its IUPAC name is (2R,3R)-3-chloro-2-hydroxy-2-methylbutanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-chloro-2-hydroxy-2-methylbutanoic acid
PubChem CID131187418
Molecular FormulaC5H9ClO3
Molecular Weight152.58 g/mol
Exact Mass152.02
IUPAC Name(2R,3R)-3-chloro-2-hydroxy-2-methylbutanoic acid
SMILESC[C@@H](Cl)[C@](C)(O)C(=O)O
InChIInChI=1S/C5H9ClO3/c1-3(6)5(2,9)4(7)8/h3,9H,1-2H3,(H,7,8)/t3-,5+/m1/s1
InChIKeyUGPDHUJUDWAYHB-WUJLRWPWSA-N
XLogP0.45
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-chloro-2-hydroxy-2-methylbutanoic acid?
The IUPAC name of (2R,3R)-3-chloro-2-hydroxy-2-methylbutanoic acid (CID 131187418) is (2R,3R)-3-chloro-2-hydroxy-2-methylbutanoic acid.
What is the SMILES notation for (2R,3R)-3-chloro-2-hydroxy-2-methylbutanoic acid?
The canonical SMILES for (2R,3R)-3-chloro-2-hydroxy-2-methylbutanoic acid is C[C@@H](Cl)[C@](C)(O)C(=O)O.
What is the InChIKey of (2R,3R)-3-chloro-2-hydroxy-2-methylbutanoic acid?
The InChIKey is UGPDHUJUDWAYHB-WUJLRWPWSA-N. The full InChI is InChI=1S/C5H9ClO3/c1-3(6)5(2,9)4(7)8/h3,9H,1-2H3,(H,7,8)/t3-,5+/m1/s1.
What are the key properties of (2R,3R)-3-chloro-2-hydroxy-2-methylbutanoic acid?
(2R,3R)-3-chloro-2-hydroxy-2-methylbutanoic acid has a molecular weight of 152.58 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-chloro-2-hydroxy-2-methylbutanoic acid is sourced from PubChem (CID 131187418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).