(2S)-2-[(2R,3R)-2,3-dihydroxy-4-oxopentanoyl]oxypropanoic acid

C8H12O7 — CID 157086316

IUPAC(2S)-2-[(2R,3R)-2,3-dihydroxy-4-oxopentanoyl]oxypropanoic acid
SMILESCC(=O)[C@H](O)[C@@H](O)C(=O)O[C@@H](C)C(=O)O
InChIInChI=1S/C8H12O7/c1-3(9)5(10)6(11)8(14)15-4(2)7(12)13/h4-6,10-11H,1-2H3,(H,12,13)/t4-,5-,6+/m0/s1
InChIKeyHMXBIZLJOPUGLP-HCWXCVPCSA-N
MW220.18 g/mol
LogP-1.69
Rot. Bonds5

About (2S)-2-[(2R,3R)-2,3-dihydroxy-4-oxopentanoyl]oxypropanoic acid

(2S)-2-[(2R,3R)-2,3-dihydroxy-4-oxopentanoyl]oxypropanoic acid (PubChem CID 157086316) has the molecular formula C8H12O7 and a molecular weight of 220.18 g/mol. Its IUPAC name is (2S)-2-[(2R,3R)-2,3-dihydroxy-4-oxopentanoyl]oxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2R,3R)-2,3-dihydroxy-4-oxopentanoyl]oxypropanoic acid
PubChem CID157086316
Molecular FormulaC8H12O7
Molecular Weight220.18 g/mol
Exact Mass220.06
IUPAC Name(2S)-2-[(2R,3R)-2,3-dihydroxy-4-oxopentanoyl]oxypropanoic acid
SMILESCC(=O)[C@H](O)[C@@H](O)C(=O)O[C@@H](C)C(=O)O
InChIInChI=1S/C8H12O7/c1-3(9)5(10)6(11)8(14)15-4(2)7(12)13/h4-6,10-11H,1-2H3,(H,12,13)/t4-,5-,6+/m0/s1
InChIKeyHMXBIZLJOPUGLP-HCWXCVPCSA-N
XLogP-1.69
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(2R,3R)-2,3-dihydroxy-4-oxopentanoyl]oxypropanoic acid 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

(2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid
CID 139060964
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-acetyloxypropanoic acid
CID 6326324
(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
2-[(2R,3R,4R,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoyl]oxypropanoic acid
CID 88767921
(2S)-2-acetyloxypropanoic acid;hydrochloride
CID 87235291
2-[2-[2-(2-methoxypropanoyloxy)propanoyloxy]propanoyloxy]propanoic acid
CID 89492748
(3R,4R)-4-amino-3-hydroxypentan-2-one
CID 59046379
methanol;2-(2-methylprop-2-enoyloxy)propanoic acid
CID 174868597
3-oxobutan-2-yl 2-sulfanylpropanoate
CID 89302963

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,3R)-2,3-dihydroxy-4-oxopentanoyl]oxypropanoic acid?
The IUPAC name of (2S)-2-[(2R,3R)-2,3-dihydroxy-4-oxopentanoyl]oxypropanoic acid (CID 157086316) is (2S)-2-[(2R,3R)-2,3-dihydroxy-4-oxopentanoyl]oxypropanoic acid.
What is the SMILES notation for (2S)-2-[(2R,3R)-2,3-dihydroxy-4-oxopentanoyl]oxypropanoic acid?
The canonical SMILES for (2S)-2-[(2R,3R)-2,3-dihydroxy-4-oxopentanoyl]oxypropanoic acid is CC(=O)[C@H](O)[C@@H](O)C(=O)O[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[(2R,3R)-2,3-dihydroxy-4-oxopentanoyl]oxypropanoic acid?
The InChIKey is HMXBIZLJOPUGLP-HCWXCVPCSA-N. The full InChI is InChI=1S/C8H12O7/c1-3(9)5(10)6(11)8(14)15-4(2)7(12)13/h4-6,10-11H,1-2H3,(H,12,13)/t4-,5-,6+/m0/s1.
What are the key properties of (2S)-2-[(2R,3R)-2,3-dihydroxy-4-oxopentanoyl]oxypropanoic acid?
(2S)-2-[(2R,3R)-2,3-dihydroxy-4-oxopentanoyl]oxypropanoic acid has a molecular weight of 220.18 g/mol, XLogP of -1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,3R)-2,3-dihydroxy-4-oxopentanoyl]oxypropanoic acid is sourced from PubChem (CID 157086316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).