3-(2-hydroxypropyl)pentanedioic acid

C8H14O5 — CID 18374299

IUPAC3-(2-hydroxypropyl)pentanedioic acid
SMILESCC(O)CC(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H14O5/c1-5(9)2-6(3-7(10)11)4-8(12)13/h5-6,9H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyWXESBVYBUWSMDM-UHFFFAOYSA-N
MW190.19 g/mol
LogP0.32
Rot. Bonds6

About 3-(2-hydroxypropyl)pentanedioic acid

3-(2-hydroxypropyl)pentanedioic acid (PubChem CID 18374299) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)pentanedioic acid.

Molecular Properties

Compound Name3-(2-hydroxypropyl)pentanedioic acid
PubChem CID18374299
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name3-(2-hydroxypropyl)pentanedioic acid
SMILESCC(O)CC(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H14O5/c1-5(9)2-6(3-7(10)11)4-8(12)13/h5-6,9H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyWXESBVYBUWSMDM-UHFFFAOYSA-N
XLogP0.32
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)pentanedioic acid?
The IUPAC name of 3-(2-hydroxypropyl)pentanedioic acid (CID 18374299) is 3-(2-hydroxypropyl)pentanedioic acid.
What is the SMILES notation for 3-(2-hydroxypropyl)pentanedioic acid?
The canonical SMILES for 3-(2-hydroxypropyl)pentanedioic acid is CC(O)CC(CC(=O)O)CC(=O)O.
What is the InChIKey of 3-(2-hydroxypropyl)pentanedioic acid?
The InChIKey is WXESBVYBUWSMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-5(9)2-6(3-7(10)11)4-8(12)13/h5-6,9H,2-4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 3-(2-hydroxypropyl)pentanedioic acid?
3-(2-hydroxypropyl)pentanedioic acid has a molecular weight of 190.19 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)pentanedioic acid is sourced from PubChem (CID 18374299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).