3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid

C6H10O6 — CID 54010507

IUPAC3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid
SMILESO=C(O)CC(=O)OCC(O)CO
InChIInChI=1S/C6H10O6/c7-2-4(8)3-12-6(11)1-5(9)10/h4,7-8H,1-3H2,(H,9,10)
InChIKeyKRZVSEXRNJCDEW-UHFFFAOYSA-N
MW178.14 g/mol
LogP-1.64
Rot. Bonds5

About 3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid

3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid (PubChem CID 54010507) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid
PubChem CID54010507
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid
SMILESO=C(O)CC(=O)OCC(O)CO
InChIInChI=1S/C6H10O6/c7-2-4(8)3-12-6(11)1-5(9)10/h4,7-8H,1-3H2,(H,9,10)
InChIKeyKRZVSEXRNJCDEW-UHFFFAOYSA-N
XLogP-1.64
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid
CID 51136413
3-(2-hydroxypropoxy)-3-oxopropanoic acid
CID 58952816
3-(2,3-dihydroxypropoxycarbonylamino)propanoic acid
CID 155479234
bis(2,3-dihydroxypropyl) icosanedioate
CID 14631093
2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate
CID 175521399
2,3-dihydroxypropyl butanoate
CID 175822551
[(2S)-2,3-dihydroxypropyl] carbamate
CID 141178909
(3S)-3-amino-4-(2,3-dihydroxypropoxy)-4-oxobutanoic acid
CID 54121468
2,3-dihydroxypropyl 4-oxopentanoate;hydrate
CID 87111192
decanoic acid;2,3-dihydroxypropyl hexanoate;octanoic acid
CID 87710407
2,3-dihydroxypropyl tetradecanoate;bis(dodecanoic acid)
CID 159816438
2,3-dihydroxypropyl octadecanoate;tetradecanoic acid
CID 159840935

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid?
The IUPAC name of 3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid (CID 54010507) is 3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid.
What is the SMILES notation for 3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid?
The canonical SMILES for 3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid is O=C(O)CC(=O)OCC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid?
The InChIKey is KRZVSEXRNJCDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6/c7-2-4(8)3-12-6(11)1-5(9)10/h4,7-8H,1-3H2,(H,9,10).
What are the key properties of 3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid?
3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid has a molecular weight of 178.14 g/mol, XLogP of -1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid is sourced from PubChem (CID 54010507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).