2-hydroxypentanoic acid;3-hydroxypentanoic acid

C10H20O6 — CID 158404048

IUPAC2-hydroxypentanoic acid;3-hydroxypentanoic acid
SMILESCCC(O)CC(=O)O.CCCC(O)C(=O)O
InChIInChI=1S/2C5H10O3/c1-2-4(6)3-5(7)8;1-2-3-4(6)5(7)8/h2*4,6H,2-3H2,1H3,(H,7,8)
InChIKeyGYLNPAZVFASSRS-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.46
Rot. Bonds6

About 2-hydroxypentanoic acid;3-hydroxypentanoic acid

2-hydroxypentanoic acid;3-hydroxypentanoic acid (PubChem CID 158404048) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-hydroxypentanoic acid;3-hydroxypentanoic acid.

Molecular Properties

Compound Name2-hydroxypentanoic acid;3-hydroxypentanoic acid
PubChem CID158404048
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name2-hydroxypentanoic acid;3-hydroxypentanoic acid
SMILESCCC(O)CC(=O)O.CCCC(O)C(=O)O
InChIInChI=1S/2C5H10O3/c1-2-4(6)3-5(7)8;1-2-3-4(6)5(7)8/h2*4,6H,2-3H2,1H3,(H,7,8)
InChIKeyGYLNPAZVFASSRS-UHFFFAOYSA-N
XLogP0.46
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxypentanoic acid;methanol
CID 174973747
3-hydroxyhexanoic acid;methane
CID 175209406
3-hydroxypentanoic acid;propa-1,2-diene
CID 174838105
3-hydroxybutanoic acid;3-hydroxydecanoic acid;3-hydroxydodecanoic acid;3-hydroxyheptanoic acid;3-hydroxyhexanoic acid;3-hydroxynonanoic acid;3-hydroxyoctanoic acid;3-hydroxypentanoic acid;3-hydroxyundecanoic acid
CID 173057054
(2R)-2-ethyl-5-hydroxyheptanedioic acid
CID 59616410
(2R)-2-hydroxyhexanoic acid
CID 6995511
3-hydroxyoctanoic acid
CID 159718411
carbonic acid;2-hydroxyhexanoic acid
CID 160541051
2-hydroxyheptanoic acid
CID 2750949
ethane;2-hydroxyhexanoic acid
CID 20976061
(2S)-2-propylbutanedioic acid
CID 12648185
3-hydroxytetracosanoic acid
CID 5312781

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypentanoic acid;3-hydroxypentanoic acid?
The IUPAC name of 2-hydroxypentanoic acid;3-hydroxypentanoic acid (CID 158404048) is 2-hydroxypentanoic acid;3-hydroxypentanoic acid.
What is the SMILES notation for 2-hydroxypentanoic acid;3-hydroxypentanoic acid?
The canonical SMILES for 2-hydroxypentanoic acid;3-hydroxypentanoic acid is CCC(O)CC(=O)O.CCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxypentanoic acid;3-hydroxypentanoic acid?
The InChIKey is GYLNPAZVFASSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10O3/c1-2-4(6)3-5(7)8;1-2-3-4(6)5(7)8/h2*4,6H,2-3H2,1H3,(H,7,8).
What are the key properties of 2-hydroxypentanoic acid;3-hydroxypentanoic acid?
2-hydroxypentanoic acid;3-hydroxypentanoic acid has a molecular weight of 236.26 g/mol, XLogP of 0.46, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypentanoic acid;3-hydroxypentanoic acid is sourced from PubChem (CID 158404048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).