2-hydroxypentanedioic acid

C5H8O5 — CID 43

IUPAC2-hydroxypentanedioic acid
SMILESO=C(O)CCC(O)C(=O)O
InChIInChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)
InChIKeyHWXBTNAVRSUOJR-UHFFFAOYSA-N
MW148.11 g/mol
LogP-0.70
Rot. Bonds4

About 2-hydroxypentanedioic acid

2-hydroxypentanedioic acid (PubChem CID 43) has the molecular formula C5H8O5 and a molecular weight of 148.11 g/mol. Its IUPAC name is 2-hydroxypentanedioic acid.

Molecular Properties

Compound Name2-hydroxypentanedioic acid
PubChem CID43
Molecular FormulaC5H8O5
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name2-hydroxypentanedioic acid
SMILESO=C(O)CCC(O)C(=O)O
InChIInChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)
InChIKeyHWXBTNAVRSUOJR-UHFFFAOYSA-N
XLogP-0.70
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypentanedioic acid?
The IUPAC name of 2-hydroxypentanedioic acid (CID 43) is 2-hydroxypentanedioic acid.
What is the SMILES notation for 2-hydroxypentanedioic acid?
The canonical SMILES for 2-hydroxypentanedioic acid is O=C(O)CCC(O)C(=O)O.
What is the InChIKey of 2-hydroxypentanedioic acid?
The InChIKey is HWXBTNAVRSUOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10).
What are the key properties of 2-hydroxypentanedioic acid?
2-hydroxypentanedioic acid has a molecular weight of 148.11 g/mol, XLogP of -0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypentanedioic acid is sourced from PubChem (CID 43), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).