methyl (2R,3R)-4-chloro-2,3-dihydroxybutanoate

C5H9ClO4 — CID 24857982

IUPACmethyl (2R,3R)-4-chloro-2,3-dihydroxybutanoate
SMILESCOC(=O)[C@H](O)[C@@H](O)CCl
InChIInChI=1S/C5H9ClO4/c1-10-5(9)4(8)3(7)2-6/h3-4,7-8H,2H2,1H3/t3-,4+/m0/s1
InChIKeyQMNGZTKQTYHONA-IUYQGCFVSA-N
MW168.58 g/mol
LogP-0.88
Rot. Bonds3

About methyl (2R,3R)-4-chloro-2,3-dihydroxybutanoate

methyl (2R,3R)-4-chloro-2,3-dihydroxybutanoate (PubChem CID 24857982) has the molecular formula C5H9ClO4 and a molecular weight of 168.58 g/mol. Its IUPAC name is methyl (2R,3R)-4-chloro-2,3-dihydroxybutanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-4-chloro-2,3-dihydroxybutanoate
PubChem CID24857982
Molecular FormulaC5H9ClO4
Molecular Weight168.58 g/mol
Exact Mass168.02
IUPAC Namemethyl (2R,3R)-4-chloro-2,3-dihydroxybutanoate
SMILESCOC(=O)[C@H](O)[C@@H](O)CCl
InChIInChI=1S/C5H9ClO4/c1-10-5(9)4(8)3(7)2-6/h3-4,7-8H,2H2,1H3/t3-,4+/m0/s1
InChIKeyQMNGZTKQTYHONA-IUYQGCFVSA-N
XLogP-0.88
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.58
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2R,3R)-4-chloro-2,3-dihydroxybutanoate 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

dimethyl (2R,3S)-2,3-dihydroxypentanedioate
CID 10943312
dimethyl (2S,3R)-2,3-dihydroxypentanedioate
CID 132966642
methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate
CID 135210741
methyl 2,3,18-trihydroxyoctadecanoate
CID 174616896
methyl (2S,3R)-2,3-dihydroxydodecanoate
CID 11806949
methyl (2S,3R)-2,3-dihydroxyhexadecanoate
CID 101007980
(4S,5S)-6-chloro-4,5-dihydroxyhexan-3-one
CID 130664474
methyl (2S)-2-amino-3-chloropropanoate;hydrochloride
CID 13050342
methyl (2R,3R)-2-hydroxy-3-methylpentanoate
CID 13262413
methyl (2S,3R)-2-hydroxy-3-methylpentanoate
CID 13262415
methyl (2S,3R,4R)-2,3,4,5,6-pentahydroxyhexanoate
CID 122443560
dimethyl (2S)-2-amino-3-hydroxybutanedioate
CID 11030367

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-4-chloro-2,3-dihydroxybutanoate?
The IUPAC name of methyl (2R,3R)-4-chloro-2,3-dihydroxybutanoate (CID 24857982) is methyl (2R,3R)-4-chloro-2,3-dihydroxybutanoate.
What is the SMILES notation for methyl (2R,3R)-4-chloro-2,3-dihydroxybutanoate?
The canonical SMILES for methyl (2R,3R)-4-chloro-2,3-dihydroxybutanoate is COC(=O)[C@H](O)[C@@H](O)CCl.
What is the InChIKey of methyl (2R,3R)-4-chloro-2,3-dihydroxybutanoate?
The InChIKey is QMNGZTKQTYHONA-IUYQGCFVSA-N. The full InChI is InChI=1S/C5H9ClO4/c1-10-5(9)4(8)3(7)2-6/h3-4,7-8H,2H2,1H3/t3-,4+/m0/s1.
What are the key properties of methyl (2R,3R)-4-chloro-2,3-dihydroxybutanoate?
methyl (2R,3R)-4-chloro-2,3-dihydroxybutanoate has a molecular weight of 168.58 g/mol, XLogP of -0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-4-chloro-2,3-dihydroxybutanoate is sourced from PubChem (CID 24857982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).