methyl (3S)-3-[(2R,3S)-2-methoxyoxolan-3-yl]butanoate

C10H18O4 — CID 101018358

IUPACmethyl (3S)-3-[(2R,3S)-2-methoxyoxolan-3-yl]butanoate
SMILESCOC(=O)C[C@H](C)[C@@H]1CCO[C@H]1OC
InChIInChI=1S/C10H18O4/c1-7(6-9(11)12-2)8-4-5-14-10(8)13-3/h7-8,10H,4-6H2,1-3H3/t7-,8-,10+/m0/s1
InChIKeyNYYNKDUEQHHISS-OYNCUSHFSA-N
MW202.25 g/mol
LogP1.19
Rot. Bonds4

About methyl (3S)-3-[(2R,3S)-2-methoxyoxolan-3-yl]butanoate

methyl (3S)-3-[(2R,3S)-2-methoxyoxolan-3-yl]butanoate (PubChem CID 101018358) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl (3S)-3-[(2R,3S)-2-methoxyoxolan-3-yl]butanoate.

Molecular Properties

Compound Namemethyl (3S)-3-[(2R,3S)-2-methoxyoxolan-3-yl]butanoate
PubChem CID101018358
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namemethyl (3S)-3-[(2R,3S)-2-methoxyoxolan-3-yl]butanoate
SMILESCOC(=O)C[C@H](C)[C@@H]1CCO[C@H]1OC
InChIInChI=1S/C10H18O4/c1-7(6-9(11)12-2)8-4-5-14-10(8)13-3/h7-8,10H,4-6H2,1-3H3/t7-,8-,10+/m0/s1
InChIKeyNYYNKDUEQHHISS-OYNCUSHFSA-N
XLogP1.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (3S)-3-[(2R,3S)-2-methoxyoxolan-3-yl]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 3-(3-methyloxiran-2-yl)butanoate
CID 175497591
(2S,3S)-2-methoxyoxolane-3-carboxylic acid
CID 97303923
bis(methyl 3-cyclopentylbutanoate);bis(methyl 3-cyclopentyl-3-hydroxypropanoate)
CID 162293846
methyl 3-(thiolan-3-yl)butanoate
CID 176838272
methyl 3-(oxan-4-ylsulfanyl)butanoate
CID 62996938
methyl 2-methylidene-4-(oxetan-2-yl)pentanoate
CID 175276046
ethyl 2-(2-ethoxyoxolan-3-yl)-2-hydroxyacetate
CID 59281677
dimethyl 2-(oxolan-2-yl)butanedioate
CID 3877780
methyl 3-hydroxy-4-(oxan-4-ylamino)butanoate
CID 115123249
[(2R,3R)-2-methoxyoxolan-3-yl]methanol
CID 130877552
methyl 2-(1,3-dioxan-2-yl)acetate
CID 59252297
methyl 3-(oxolan-2-ylmethylsulfinyl)butanoate
CID 66115323

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-[(2R,3S)-2-methoxyoxolan-3-yl]butanoate?
The IUPAC name of methyl (3S)-3-[(2R,3S)-2-methoxyoxolan-3-yl]butanoate (CID 101018358) is methyl (3S)-3-[(2R,3S)-2-methoxyoxolan-3-yl]butanoate.
What is the SMILES notation for methyl (3S)-3-[(2R,3S)-2-methoxyoxolan-3-yl]butanoate?
The canonical SMILES for methyl (3S)-3-[(2R,3S)-2-methoxyoxolan-3-yl]butanoate is COC(=O)C[C@H](C)[C@@H]1CCO[C@H]1OC.
What is the InChIKey of methyl (3S)-3-[(2R,3S)-2-methoxyoxolan-3-yl]butanoate?
The InChIKey is NYYNKDUEQHHISS-OYNCUSHFSA-N. The full InChI is InChI=1S/C10H18O4/c1-7(6-9(11)12-2)8-4-5-14-10(8)13-3/h7-8,10H,4-6H2,1-3H3/t7-,8-,10+/m0/s1.
What are the key properties of methyl (3S)-3-[(2R,3S)-2-methoxyoxolan-3-yl]butanoate?
methyl (3S)-3-[(2R,3S)-2-methoxyoxolan-3-yl]butanoate has a molecular weight of 202.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-[(2R,3S)-2-methoxyoxolan-3-yl]butanoate is sourced from PubChem (CID 101018358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).