3-(hydroxymethyl)pentanedioic acid

C6H10O5 — CID 10329583

IUPAC3-(hydroxymethyl)pentanedioic acid
SMILESO=C(O)CC(CO)CC(=O)O
InChIInChI=1S/C6H10O5/c7-3-4(1-5(8)9)2-6(10)11/h4,7H,1-3H2,(H,8,9)(H,10,11)
InChIKeyIEPDKRIDROAXQP-UHFFFAOYSA-N
MW162.14 g/mol
LogP-0.46
Rot. Bonds5

About 3-(hydroxymethyl)pentanedioic acid

3-(hydroxymethyl)pentanedioic acid (PubChem CID 10329583) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is 3-(hydroxymethyl)pentanedioic acid.

Molecular Properties

Compound Name3-(hydroxymethyl)pentanedioic acid
PubChem CID10329583
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name3-(hydroxymethyl)pentanedioic acid
SMILESO=C(O)CC(CO)CC(=O)O
InChIInChI=1S/C6H10O5/c7-3-4(1-5(8)9)2-6(10)11/h4,7H,1-3H2,(H,8,9)(H,10,11)
InChIKeyIEPDKRIDROAXQP-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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Related Compounds

1,2,3-Propanetricarboxylic acid
CID 14925
3-Methylglutaric acid
CID 12284
3-(Ethoxycarbonyl)pentanedioic acid
CID 122714131
3-(Hydroxymethyl)pentanoic acid
CID 14168391
Rac-(1r,2s)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid
CID 10654204
3-(Carboxymethyl)pentanedioic acid
CID 62382
3-ethylpentanedioic Acid
CID 10012172
2-Ethyl-4-hydroxybutanoic acid
CID 10261127
3,3-Bis(hydroxymethyl)glutaric acid
CID 19985419
2-(5-Oxooxolan-3-yl)acetic acid
CID 21927831
beta-Dihydroxymethylvaleric acid
CID 87108659
3-(Hydroxymethyl)-5-oxopentanoic acid
CID 91377940

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)pentanedioic acid?
The IUPAC name of 3-(hydroxymethyl)pentanedioic acid (CID 10329583) is 3-(hydroxymethyl)pentanedioic acid.
What is the SMILES notation for 3-(hydroxymethyl)pentanedioic acid?
The canonical SMILES for 3-(hydroxymethyl)pentanedioic acid is O=C(O)CC(CO)CC(=O)O.
What is the InChIKey of 3-(hydroxymethyl)pentanedioic acid?
The InChIKey is IEPDKRIDROAXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5/c7-3-4(1-5(8)9)2-6(10)11/h4,7H,1-3H2,(H,8,9)(H,10,11).
What are the key properties of 3-(hydroxymethyl)pentanedioic acid?
3-(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 3-(hydroxymethyl)pentanedioic acid is sourced from PubChem (CID 10329583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).