2-(hydroxymethyl)pentanedioic acid

C6H10O5 — CID 10261389

IUPAC2-(hydroxymethyl)pentanedioic acid
SMILESO=C(O)CCC(CO)C(=O)O
InChIInChI=1S/C6H10O5/c7-3-4(6(10)11)1-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)
InChIKeyXPQIPNORJZZYPV-UHFFFAOYSA-N
MW162.14 g/mol
LogP-0.46
Rot. Bonds5

About 2-(hydroxymethyl)pentanedioic acid

2-(hydroxymethyl)pentanedioic acid (PubChem CID 10261389) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is 2-(hydroxymethyl)pentanedioic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)pentanedioic acid
PubChem CID10261389
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name2-(hydroxymethyl)pentanedioic acid
SMILESO=C(O)CCC(CO)C(=O)O
InChIInChI=1S/C6H10O5/c7-3-4(6(10)11)1-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)
InChIKeyXPQIPNORJZZYPV-UHFFFAOYSA-N
XLogP-0.46
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)pentanedioic acid?
The IUPAC name of 2-(hydroxymethyl)pentanedioic acid (CID 10261389) is 2-(hydroxymethyl)pentanedioic acid.
What is the SMILES notation for 2-(hydroxymethyl)pentanedioic acid?
The canonical SMILES for 2-(hydroxymethyl)pentanedioic acid is O=C(O)CCC(CO)C(=O)O.
What is the InChIKey of 2-(hydroxymethyl)pentanedioic acid?
The InChIKey is XPQIPNORJZZYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5/c7-3-4(6(10)11)1-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11).
What are the key properties of 2-(hydroxymethyl)pentanedioic acid?
2-(hydroxymethyl)pentanedioic acid has a molecular weight of 162.14 g/mol, XLogP of -0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)pentanedioic acid is sourced from PubChem (CID 10261389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).