methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate

C11H20O4 — CID 134952784

IUPACmethyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate
SMILESCOC(=O)[C@@H](OC)[C@H](O)C1CCCCC1
InChIInChI=1S/C11H20O4/c1-14-10(11(13)15-2)9(12)8-6-4-3-5-7-8/h8-10,12H,3-7H2,1-2H3/t9-,10+/m1/s1
InChIKeyWVLXLHPVFYLSMT-ZJUUUORDSA-N
MW216.28 g/mol
LogP1.12
Rot. Bonds4

About methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate

methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate (PubChem CID 134952784) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate
PubChem CID134952784
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namemethyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate
SMILESCOC(=O)[C@@H](OC)[C@H](O)C1CCCCC1
InChIInChI=1S/C11H20O4/c1-14-10(11(13)15-2)9(12)8-6-4-3-5-7-8/h8-10,12H,3-7H2,1-2H3/t9-,10+/m1/s1
InChIKeyWVLXLHPVFYLSMT-ZJUUUORDSA-N
XLogP1.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate 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 3-cyclohexyl-3-hydroxy-2-methoxypropanoate
CID 122389974
methyl 2-cyclododecyl-2-hydroxyacetate
CID 66287971
dimethyl 2-cyclohexylpropanedioate
CID 2793740
methyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate
CID 143700706
methyl 2-bromo-2-cyclodecylacetate
CID 89276662
(1S)-1-cyclohexyl-2,2-dimethoxyethanol
CID 100970044
methyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
CID 81386105
2-cyclopentyl-3-methoxy-3-oxopropanoic acid
CID 103973424
methyl (2S)-2-acetyloxy-2-cyclohexylacetate
CID 101044598
methyl 2-cyclobutyl-3-methylsulfanylpropanoate
CID 117245749
methyl 2-[[(1S)-1-cycloheptylethyl]amino]butanoate
CID 115353551
tert-butyl 3-cycloheptyl-3-hydroxy-2-methylpropanoate
CID 66338919

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate?
The IUPAC name of methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate (CID 134952784) is methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate.
What is the SMILES notation for methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate?
The canonical SMILES for methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate is COC(=O)[C@@H](OC)[C@H](O)C1CCCCC1.
What is the InChIKey of methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate?
The InChIKey is WVLXLHPVFYLSMT-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20O4/c1-14-10(11(13)15-2)9(12)8-6-4-3-5-7-8/h8-10,12H,3-7H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate?
methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate has a molecular weight of 216.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate is sourced from PubChem (CID 134952784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).