methyl (2S,3R)-2-hydroxy-3-(methoxymethoxy)butanoate

C7H14O5 — CID 10559215

IUPACmethyl (2S,3R)-2-hydroxy-3-(methoxymethoxy)butanoate
SMILESCOCO[C@H](C)[C@H](O)C(=O)OC
InChIInChI=1S/C7H14O5/c1-5(12-4-10-2)6(8)7(9)11-3/h5-6,8H,4H2,1-3H3/t5-,6+/m1/s1
InChIKeyMBPMZLFNQPLCLC-RITPCOANSA-N
MW178.18 g/mol
LogP-0.47
Rot. Bonds5

About methyl (2S,3R)-2-hydroxy-3-(methoxymethoxy)butanoate

methyl (2S,3R)-2-hydroxy-3-(methoxymethoxy)butanoate (PubChem CID 10559215) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is methyl (2S,3R)-2-hydroxy-3-(methoxymethoxy)butanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-2-hydroxy-3-(methoxymethoxy)butanoate
PubChem CID10559215
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Namemethyl (2S,3R)-2-hydroxy-3-(methoxymethoxy)butanoate
SMILESCOCO[C@H](C)[C@H](O)C(=O)OC
InChIInChI=1S/C7H14O5/c1-5(12-4-10-2)6(8)7(9)11-3/h5-6,8H,4H2,1-3H3/t5-,6+/m1/s1
InChIKeyMBPMZLFNQPLCLC-RITPCOANSA-N
XLogP-0.47
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl (2S,3R)-2-hydroxy-3-(methoxymethoxy)butanoate 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

methyl 2-hydroxy-3-octadecoxybutanoate
CID 175428260
methyl (2S,3R)-2-hydroxy-3-methylpentanoate
CID 13262415
methyl (2R,3R)-2-hydroxy-3-methylpentanoate
CID 13262413
methoxymethyl (2S)-2-(methoxymethoxy)propanoate
CID 71444990
methyl 3-amino-2-hydroxybutanoate;hydrochloride
CID 135262653
methyl (2S,3R)-2-hydroxy-3-methylhex-4-ynoate
CID 131207362
methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate
CID 135210741
(2R)-2-(methoxymethoxy)propanoic acid
CID 10844423
N-[3-(methoxymethoxy)butan-2-yl]formamide
CID 126762871
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
dimethyl (2S)-2-amino-3-hydroxybutanedioate
CID 11030367
methyl (2S)-3,3-difluoro-2-hydroxypropanoate
CID 178200832

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-2-hydroxy-3-(methoxymethoxy)butanoate?
The IUPAC name of methyl (2S,3R)-2-hydroxy-3-(methoxymethoxy)butanoate (CID 10559215) is methyl (2S,3R)-2-hydroxy-3-(methoxymethoxy)butanoate.
What is the SMILES notation for methyl (2S,3R)-2-hydroxy-3-(methoxymethoxy)butanoate?
The canonical SMILES for methyl (2S,3R)-2-hydroxy-3-(methoxymethoxy)butanoate is COCO[C@H](C)[C@H](O)C(=O)OC.
What is the InChIKey of methyl (2S,3R)-2-hydroxy-3-(methoxymethoxy)butanoate?
The InChIKey is MBPMZLFNQPLCLC-RITPCOANSA-N. The full InChI is InChI=1S/C7H14O5/c1-5(12-4-10-2)6(8)7(9)11-3/h5-6,8H,4H2,1-3H3/t5-,6+/m1/s1.
What are the key properties of methyl (2S,3R)-2-hydroxy-3-(methoxymethoxy)butanoate?
methyl (2S,3R)-2-hydroxy-3-(methoxymethoxy)butanoate has a molecular weight of 178.18 g/mol, XLogP of -0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-2-hydroxy-3-(methoxymethoxy)butanoate is sourced from PubChem (CID 10559215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).