3-(2-hydroxyethoxy)pentanedioic acid

C7H12O6 — CID 87839314

IUPAC3-(2-hydroxyethoxy)pentanedioic acid
SMILESO=C(O)CC(CC(=O)O)OCCO
InChIInChI=1S/C7H12O6/c8-1-2-13-5(3-6(9)10)4-7(11)12/h5,8H,1-4H2,(H,9,10)(H,11,12)
InChIKeyBSOCFNBUZAGBSY-UHFFFAOYSA-N
MW192.17 g/mol
LogP-0.69
Rot. Bonds7

About 3-(2-hydroxyethoxy)pentanedioic acid

3-(2-hydroxyethoxy)pentanedioic acid (PubChem CID 87839314) has the molecular formula C7H12O6 and a molecular weight of 192.17 g/mol. Its IUPAC name is 3-(2-hydroxyethoxy)pentanedioic acid.

Molecular Properties

Compound Name3-(2-hydroxyethoxy)pentanedioic acid
PubChem CID87839314
Molecular FormulaC7H12O6
Molecular Weight192.17 g/mol
Exact Mass192.06
IUPAC Name3-(2-hydroxyethoxy)pentanedioic acid
SMILESO=C(O)CC(CC(=O)O)OCCO
InChIInChI=1S/C7H12O6/c8-1-2-13-5(3-6(9)10)4-7(11)12/h5,8H,1-4H2,(H,9,10)(H,11,12)
InChIKeyBSOCFNBUZAGBSY-UHFFFAOYSA-N
XLogP-0.69
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-hydroxypropoxy)pentanoic acid
CID 114988912
2-(2-hydroxyethoxy)propane-1,3-diol
CID 19067848
2,3-bis(2-hydroxyethoxy)butanedioic acid
CID 174652716
[3-carboxy-2-(14-hydroxytetradecoxy)propyl]-trimethylazanium
CID 87185532
4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-3-(16-methylheptadecoxy)butanoic acid
CID 54531083
5-methoxy-5-oxo-3-pentoxypentanoic acid
CID 87950220
2-[carboxy(2-hydroxyethoxy)methoxy]-2-(2-hydroxyethoxy)acetic acid
CID 118435325
2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174790415
[3-carboxy-2-(3-methylbutoxy)propyl]-trimethylazanium
CID 174377031
3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid
CID 139938687
[(2R)-3-carboxy-2-(3-oxopropoxy)propyl]-trimethylazanium
CID 175291485
2-(2-hydroxyethoxy)-3-methoxypropanoic acid
CID 168724097

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethoxy)pentanedioic acid?
The IUPAC name of 3-(2-hydroxyethoxy)pentanedioic acid (CID 87839314) is 3-(2-hydroxyethoxy)pentanedioic acid.
What is the SMILES notation for 3-(2-hydroxyethoxy)pentanedioic acid?
The canonical SMILES for 3-(2-hydroxyethoxy)pentanedioic acid is O=C(O)CC(CC(=O)O)OCCO.
What is the InChIKey of 3-(2-hydroxyethoxy)pentanedioic acid?
The InChIKey is BSOCFNBUZAGBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O6/c8-1-2-13-5(3-6(9)10)4-7(11)12/h5,8H,1-4H2,(H,9,10)(H,11,12).
What are the key properties of 3-(2-hydroxyethoxy)pentanedioic acid?
3-(2-hydroxyethoxy)pentanedioic acid has a molecular weight of 192.17 g/mol, XLogP of -0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethoxy)pentanedioic acid is sourced from PubChem (CID 87839314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).