[(2S)-3-oxobutan-2-yl] (2R)-2-methoxypropanoate;[(2R)-3-oxobutan-2-yl] (2S)-2-methoxypropanoate

C16H28O8 — CID 159152488

IUPAC[(2S)-3-oxobutan-2-yl] (2R)-2-methoxypropanoate;[(2R)-3-oxobutan-2-yl] (2S)-2-methoxypropanoate
SMILESCO[C@@H](C)C(=O)O[C@H](C)C(C)=O.CO[C@H](C)C(=O)O[C@@H](C)C(C)=O
InChIInChI=1S/2C8H14O4/c2*1-5(9)6(2)12-8(10)7(3)11-4/h2*6-7H,1-4H3/t2*6-,7+/m10/s1
InChIKeyKJMCQNORVRUBKX-RMHGRBOHSA-N
MW348.39 g/mol
LogP1.08
Rot. Bonds8

About [(2S)-3-oxobutan-2-yl] (2R)-2-methoxypropanoate;[(2R)-3-oxobutan-2-yl] (2S)-2-methoxypropanoate

[(2S)-3-oxobutan-2-yl] (2R)-2-methoxypropanoate;[(2R)-3-oxobutan-2-yl] (2S)-2-methoxypropanoate (PubChem CID 159152488) has the molecular formula C16H28O8 and a molecular weight of 348.39 g/mol. Its IUPAC name is [(2S)-3-oxobutan-2-yl] (2R)-2-methoxypropanoate;[(2R)-3-oxobutan-2-yl] (2S)-2-methoxypropanoate.

Molecular Properties

Compound Name[(2S)-3-oxobutan-2-yl] (2R)-2-methoxypropanoate;[(2R)-3-oxobutan-2-yl] (2S)-2-methoxypropanoate
PubChem CID159152488
Molecular FormulaC16H28O8
Molecular Weight348.39 g/mol
Exact Mass348.18
IUPAC Name[(2S)-3-oxobutan-2-yl] (2R)-2-methoxypropanoate;[(2R)-3-oxobutan-2-yl] (2S)-2-methoxypropanoate
SMILESCO[C@@H](C)C(=O)O[C@H](C)C(C)=O.CO[C@H](C)C(=O)O[C@@H](C)C(C)=O
InChIInChI=1S/2C8H14O4/c2*1-5(9)6(2)12-8(10)7(3)11-4/h2*6-7H,1-4H3/t2*6-,7+/m10/s1
InChIKeyKJMCQNORVRUBKX-RMHGRBOHSA-N
XLogP1.08
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(2S)-3-oxobutan-2-yl] (2R)-2-methoxypropanoate;[(2R)-3-oxobutan-2-yl] (2S)-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

2-[2-[2-(2-methoxypropanoyloxy)propanoyloxy]propanoyloxy]propanoic acid
CID 89492748
3-oxobutan-2-yl 2-sulfanylpropanoate
CID 89302963
methyl 2-methoxypropanoate;hydrochloride
CID 174449160
[1-[2-[2-[2-(acetamidomethylcarbamoyloxy)propanoyloxy]propanoyloxy]ethoxy]-1-oxopropan-2-yl] 2-methoxypropanoate
CID 59464762
[(2S)-1-oxopropan-2-yl] (2S)-2-methoxypropanoate
CID 146437962
3-oxobutan-2-yl 2-methylbutanoate
CID 59653814
[1-[methyl(2-oxopropyl)amino]-1-oxopropan-2-yl] 2-methoxypropanoate
CID 157304502
[1-oxo-1-[2-[2-oxo-2-(2-oxopropoxy)ethoxy]carbonyloxyethoxy]propan-2-yl] 2-methoxypropanoate
CID 176759680
N-(1-methoxyethoxy)acetamide
CID 142626911
[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate;[1-[methyl(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate
CID 157315892
2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate
CID 20768535
methyl (2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-dimethylgallanyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate
CID 139239326

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-oxobutan-2-yl] (2R)-2-methoxypropanoate;[(2R)-3-oxobutan-2-yl] (2S)-2-methoxypropanoate?
The IUPAC name of [(2S)-3-oxobutan-2-yl] (2R)-2-methoxypropanoate;[(2R)-3-oxobutan-2-yl] (2S)-2-methoxypropanoate (CID 159152488) is [(2S)-3-oxobutan-2-yl] (2R)-2-methoxypropanoate;[(2R)-3-oxobutan-2-yl] (2S)-2-methoxypropanoate.
What is the SMILES notation for [(2S)-3-oxobutan-2-yl] (2R)-2-methoxypropanoate;[(2R)-3-oxobutan-2-yl] (2S)-2-methoxypropanoate?
The canonical SMILES for [(2S)-3-oxobutan-2-yl] (2R)-2-methoxypropanoate;[(2R)-3-oxobutan-2-yl] (2S)-2-methoxypropanoate is CO[C@@H](C)C(=O)O[C@H](C)C(C)=O.CO[C@H](C)C(=O)O[C@@H](C)C(C)=O.
What is the InChIKey of [(2S)-3-oxobutan-2-yl] (2R)-2-methoxypropanoate;[(2R)-3-oxobutan-2-yl] (2S)-2-methoxypropanoate?
The InChIKey is KJMCQNORVRUBKX-RMHGRBOHSA-N. The full InChI is InChI=1S/2C8H14O4/c2*1-5(9)6(2)12-8(10)7(3)11-4/h2*6-7H,1-4H3/t2*6-,7+/m10/s1.
What are the key properties of [(2S)-3-oxobutan-2-yl] (2R)-2-methoxypropanoate;[(2R)-3-oxobutan-2-yl] (2S)-2-methoxypropanoate?
[(2S)-3-oxobutan-2-yl] (2R)-2-methoxypropanoate;[(2R)-3-oxobutan-2-yl] (2S)-2-methoxypropanoate has a molecular weight of 348.39 g/mol, XLogP of 1.08, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-oxobutan-2-yl] (2R)-2-methoxypropanoate;[(2R)-3-oxobutan-2-yl] (2S)-2-methoxypropanoate is sourced from PubChem (CID 159152488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).