(2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid

C12H20O10 — CID 139060964

IUPAC(2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid
SMILESC[C@H](O)C(=O)O[C@@H](C)C(=O)O.C[C@H](O)C(=O)O[C@@H](C)C(=O)O
InChIInChI=1S/2C6H10O5/c2*1-3(7)6(10)11-4(2)5(8)9/h2*3-4,7H,1-2H3,(H,8,9)/t2*3-,4-/m00/s1
InChIKeyIFJXXVLUQUROHD-IHZAQJADSA-N
MW324.28 g/mol
LogP-1.23
Rot. Bonds6

About (2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid

(2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid (PubChem CID 139060964) has the molecular formula C12H20O10 and a molecular weight of 324.28 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid
PubChem CID139060964
Molecular FormulaC12H20O10
Molecular Weight324.28 g/mol
Exact Mass324.11
IUPAC Name(2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid
SMILESC[C@H](O)C(=O)O[C@@H](C)C(=O)O.C[C@H](O)C(=O)O[C@@H](C)C(=O)O
InChIInChI=1S/2C6H10O5/c2*1-3(7)6(10)11-4(2)5(8)9/h2*3-4,7H,1-2H3,(H,8,9)/t2*3-,4-/m00/s1
InChIKeyIFJXXVLUQUROHD-IHZAQJADSA-N
XLogP-1.23
TPSA167.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(2R)-2-hydroxypropanoyl]oxypropanoic acid
CID 54178313
potassium;hydride;2-(2-hydroxypropanoyloxy)propanoic acid
CID 173006474
2-[(2S)-2-amino-3-methylbutanoyl]oxypropanoic acid
CID 54208799
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-1-[(2S)-1-[(2S)-1-[(1S)-1-carboxyethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
CID 156757405
(2S)-2-[(2R,3R)-2,3-dihydroxy-4-oxopentanoyl]oxypropanoic acid
CID 157086316
3,6-dimethyl-1,4-dioxane-2,5-dione;2-hydroxypropanoic acid;bis(2-(2-hydroxypropanoyloxy)propanoic acid);methane;dihydrate
CID 158474639
2-[2-[2-(2-methoxypropanoyloxy)propanoyloxy]propanoyloxy]propanoic acid
CID 89492748
[1-(3-methylbutan-2-yloxy)-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 171574306
(2S)-2-acetyloxypropanoic acid
CID 6326324
[1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 85434603
[(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate
CID 171574297
(2S)-2-acetyloxypropanoic acid;hydrochloride
CID 87235291

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid?
The IUPAC name of (2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid (CID 139060964) is (2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid.
What is the SMILES notation for (2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid?
The canonical SMILES for (2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid is C[C@H](O)C(=O)O[C@@H](C)C(=O)O.C[C@H](O)C(=O)O[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid?
The InChIKey is IFJXXVLUQUROHD-IHZAQJADSA-N. The full InChI is InChI=1S/2C6H10O5/c2*1-3(7)6(10)11-4(2)5(8)9/h2*3-4,7H,1-2H3,(H,8,9)/t2*3-,4-/m00/s1.
What are the key properties of (2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid?
(2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid has a molecular weight of 324.28 g/mol, XLogP of -1.23, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid is sourced from PubChem (CID 139060964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).