prop-2-enyl (2S)-2,3-dihydroxy-3-methylbutanoate

C8H14O4 — CID 11401049

IUPACprop-2-enyl (2S)-2,3-dihydroxy-3-methylbutanoate
SMILESC=CCOC(=O)[C@@H](O)C(C)(C)O
InChIInChI=1S/C8H14O4/c1-4-5-12-7(10)6(9)8(2,3)11/h4,6,9,11H,1,5H2,2-3H3/t6-/m1/s1
InChIKeyVMDAHKXNPYAUDS-ZCFIWIBFSA-N
MW174.20 g/mol
LogP-0.15
Rot. Bonds4

About prop-2-enyl (2S)-2,3-dihydroxy-3-methylbutanoate

prop-2-enyl (2S)-2,3-dihydroxy-3-methylbutanoate (PubChem CID 11401049) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is prop-2-enyl (2S)-2,3-dihydroxy-3-methylbutanoate.

Molecular Properties

Compound Nameprop-2-enyl (2S)-2,3-dihydroxy-3-methylbutanoate
PubChem CID11401049
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Nameprop-2-enyl (2S)-2,3-dihydroxy-3-methylbutanoate
SMILESC=CCOC(=O)[C@@H](O)C(C)(C)O
InChIInChI=1S/C8H14O4/c1-4-5-12-7(10)6(9)8(2,3)11/h4,6,9,11H,1,5H2,2-3H3/t6-/m1/s1
InChIKeyVMDAHKXNPYAUDS-ZCFIWIBFSA-N
XLogP-0.15
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze prop-2-enyl (2S)-2,3-dihydroxy-3-methylbutanoate 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

bis(prop-2-enyl) 2-hydroxypropanedioate
CID 14329928
prop-2-enyl 2-aminopropanoate
CID 91515395
prop-2-enyl 2-hydroxy-4-methylpentanoate
CID 18724155
prop-2-enyl (2R,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 124630010
prop-2-enyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 124630009
ethane;propane;prop-2-enyl 2-methylpropanoate
CID 158123161
prop-2-enyl 2-chloro-2-methylpropanoate
CID 21285838
prop-2-enyl 2-methylpent-4-enoate
CID 59817388
CID 58877383
CID 58877383
[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium chloride
CID 10877479
prop-2-enyl 3-hydroxybutanoate
CID 14360290
prop-2-enyl (2S)-3-amino-2-methylpropanoate
CID 59815575

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S)-2,3-dihydroxy-3-methylbutanoate?
The IUPAC name of prop-2-enyl (2S)-2,3-dihydroxy-3-methylbutanoate (CID 11401049) is prop-2-enyl (2S)-2,3-dihydroxy-3-methylbutanoate.
What is the SMILES notation for prop-2-enyl (2S)-2,3-dihydroxy-3-methylbutanoate?
The canonical SMILES for prop-2-enyl (2S)-2,3-dihydroxy-3-methylbutanoate is C=CCOC(=O)[C@@H](O)C(C)(C)O.
What is the InChIKey of prop-2-enyl (2S)-2,3-dihydroxy-3-methylbutanoate?
The InChIKey is VMDAHKXNPYAUDS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14O4/c1-4-5-12-7(10)6(9)8(2,3)11/h4,6,9,11H,1,5H2,2-3H3/t6-/m1/s1.
What are the key properties of prop-2-enyl (2S)-2,3-dihydroxy-3-methylbutanoate?
prop-2-enyl (2S)-2,3-dihydroxy-3-methylbutanoate has a molecular weight of 174.20 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S)-2,3-dihydroxy-3-methylbutanoate is sourced from PubChem (CID 11401049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).