3-(2-hydroxypropoxy)-3-oxopropanoic acid

C6H10O5 — CID 58952816

IUPAC3-(2-hydroxypropoxy)-3-oxopropanoic acid
SMILESCC(O)COC(=O)CC(=O)O
InChIInChI=1S/C6H10O5/c1-4(7)3-11-6(10)2-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)
InChIKeyJRAZZHBQZDUDPZ-UHFFFAOYSA-N
MW162.14 g/mol
LogP-0.61
Rot. Bonds4

About 3-(2-hydroxypropoxy)-3-oxopropanoic acid

3-(2-hydroxypropoxy)-3-oxopropanoic acid (PubChem CID 58952816) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is 3-(2-hydroxypropoxy)-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(2-hydroxypropoxy)-3-oxopropanoic acid
PubChem CID58952816
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name3-(2-hydroxypropoxy)-3-oxopropanoic acid
SMILESCC(O)COC(=O)CC(=O)O
InChIInChI=1S/C6H10O5/c1-4(7)3-11-6(10)2-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)
InChIKeyJRAZZHBQZDUDPZ-UHFFFAOYSA-N
XLogP-0.61
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-hydroxypropoxy)-5-oxopentanoic acid
CID 88687077
3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid
CID 54010507
6-(2-hydroxypropoxy)-6-oxohexanoic acid;propane-1,2-diol
CID 87972494
2-hydroxypropyl 3-sulfanylpropanoate
CID 87339203
hexakis(2-hydroxypropyl methyl carbonate);methane;hexakis(yttrium)
CID 157481977
1-O-[2-(2-hydroxypropoxycarbonyloxy)propyl] 3-O-[2-(2-methoxypropoxycarbonyloxy)propyl] propanedioate
CID 88542811
sodium 2-[[2-(2-hydroxypropoxy)-2-oxoethyl]amino]acetate
CID 140993572
azane;3-ethoxy-3-oxopropanoic acid
CID 173322885
zinc 3-ethoxy-3-oxopropanoic acid
CID 24997498
3-ethoxy-3-oxopropanoic acid chloride
CID 21107838
2-hydroxypropyl acetate;mercury
CID 174858394
1-O-(2-hydroxypropyl) 4-O-methyl 2,3-dimethylbutanedioate
CID 155641970

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropoxy)-3-oxopropanoic acid?
The IUPAC name of 3-(2-hydroxypropoxy)-3-oxopropanoic acid (CID 58952816) is 3-(2-hydroxypropoxy)-3-oxopropanoic acid.
What is the SMILES notation for 3-(2-hydroxypropoxy)-3-oxopropanoic acid?
The canonical SMILES for 3-(2-hydroxypropoxy)-3-oxopropanoic acid is CC(O)COC(=O)CC(=O)O.
What is the InChIKey of 3-(2-hydroxypropoxy)-3-oxopropanoic acid?
The InChIKey is JRAZZHBQZDUDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5/c1-4(7)3-11-6(10)2-5(8)9/h4,7H,2-3H2,1H3,(H,8,9).
What are the key properties of 3-(2-hydroxypropoxy)-3-oxopropanoic acid?
3-(2-hydroxypropoxy)-3-oxopropanoic acid has a molecular weight of 162.14 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropoxy)-3-oxopropanoic acid is sourced from PubChem (CID 58952816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).