2-(3-hydroxypentyl)pentanedioic acid

C10H18O5 — CID 134211777

IUPAC2-(3-hydroxypentyl)pentanedioic acid
SMILESCCC(O)CCC(CCC(=O)O)C(=O)O
InChIInChI=1S/C10H18O5/c1-2-8(11)5-3-7(10(14)15)4-6-9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyXKQIMCIPQOIIOC-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.10
Rot. Bonds8

About 2-(3-hydroxypentyl)pentanedioic acid

2-(3-hydroxypentyl)pentanedioic acid (PubChem CID 134211777) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-(3-hydroxypentyl)pentanedioic acid.

Molecular Properties

Compound Name2-(3-hydroxypentyl)pentanedioic acid
PubChem CID134211777
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2-(3-hydroxypentyl)pentanedioic acid
SMILESCCC(O)CCC(CCC(=O)O)C(=O)O
InChIInChI=1S/C10H18O5/c1-2-8(11)5-3-7(10(14)15)4-6-9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyXKQIMCIPQOIIOC-UHFFFAOYSA-N
XLogP1.10
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-hydroxyhexanoic acid
CID 14057564
octane-1,3,6,8-tetracarboxylic acid
CID 89155877
2-(5-hydroxyheptyl)hexanedioic acid
CID 134209805
(5R)-5-hydroxyheptanoic acid
CID 14029725
(2R)-2-ethyl-5-hydroxyheptanedioic acid
CID 59616410
4,6-dihydroxyoctanoic acid
CID 137380619
2-heptylpentanedioic acid
CID 18353896
2-[2-[bis(carboxymethyl)amino]-2-oxoethyl]-5-hydroxyheptanoic acid
CID 159990422
15-hydroxyheptadecanoic acid
CID 14454507
27-hydroxynonacosanoic acid
CID 169277027
icosane-1,3,7-tricarboxylic acid
CID 141268495
4,7,10-trihydroxytridecanedioic acid
CID 174508120

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypentyl)pentanedioic acid?
The IUPAC name of 2-(3-hydroxypentyl)pentanedioic acid (CID 134211777) is 2-(3-hydroxypentyl)pentanedioic acid.
What is the SMILES notation for 2-(3-hydroxypentyl)pentanedioic acid?
The canonical SMILES for 2-(3-hydroxypentyl)pentanedioic acid is CCC(O)CCC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-(3-hydroxypentyl)pentanedioic acid?
The InChIKey is XKQIMCIPQOIIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-2-8(11)5-3-7(10(14)15)4-6-9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(3-hydroxypentyl)pentanedioic acid?
2-(3-hydroxypentyl)pentanedioic acid has a molecular weight of 218.25 g/mol, XLogP of 1.10, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypentyl)pentanedioic acid is sourced from PubChem (CID 134211777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).