5-hydroxypentanoate;propanoic acid

C8H15O5- — CID 91421786

IUPAC5-hydroxypentanoate;propanoic acid
SMILESCCC(=O)O.O=C([O-])CCCCO
InChIInChI=1S/C5H10O3.C3H6O2/c6-4-2-1-3-5(7)8;1-2-3(4)5/h6H,1-4H2,(H,7,8);2H2,1H3,(H,4,5)/p-1
InChIKeySMKCEMCRPLWXGM-UHFFFAOYSA-M
MW191.20 g/mol
LogP-0.62
Rot. Bonds5

About 5-hydroxypentanoate;propanoic acid

5-hydroxypentanoate;propanoic acid (PubChem CID 91421786) has the molecular formula C8H15O5- and a molecular weight of 191.20 g/mol. Its IUPAC name is 5-hydroxypentanoate;propanoic acid.

Molecular Properties

Compound Name5-hydroxypentanoate;propanoic acid
PubChem CID91421786
Molecular FormulaC8H15O5-
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name5-hydroxypentanoate;propanoic acid
SMILESCCC(=O)O.O=C([O-])CCCCO
InChIInChI=1S/C5H10O3.C3H6O2/c6-4-2-1-3-5(7)8;1-2-3(4)5/h6H,1-4H2,(H,7,8);2H2,1H3,(H,4,5)/p-1
InChIKeySMKCEMCRPLWXGM-UHFFFAOYSA-M
XLogP-0.62
TPSA97.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-hydroxypentanoate;propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

30-hydroxytriacontanoate
CID 71768153
magnesium bis(6-hydroxyhexanoate)
CID 156828255
tetrakis(6-hydroxyhexanoate);titanium(4+)
CID 173190701
strontium bis(6-hydroxyhexanoate)
CID 156828259
sodium;dodecan-1-ol;octadecanoate
CID 174506535
propanoic acid;tridecane-1,13-diol
CID 175109427
hexane-1,6-diol;propanoic acid
CID 87606628
CID 173101164
CID 173101164
calcium;lithium;tris(18-hydroxyoctadecanoate)
CID 173343928
butan-1-ol;bis(octadecanoate);titanium(2+)
CID 158035093
sodium 4-hydroxy(1,2,3,4-13C4)butanoate
CID 139025091
hexanedioate;hexanedioic acid
CID 90469810

Frequently Asked Questions

What is the IUPAC name of 5-hydroxypentanoate;propanoic acid?
The IUPAC name of 5-hydroxypentanoate;propanoic acid (CID 91421786) is 5-hydroxypentanoate;propanoic acid.
What is the SMILES notation for 5-hydroxypentanoate;propanoic acid?
The canonical SMILES for 5-hydroxypentanoate;propanoic acid is CCC(=O)O.O=C([O-])CCCCO.
What is the InChIKey of 5-hydroxypentanoate;propanoic acid?
The InChIKey is SMKCEMCRPLWXGM-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10O3.C3H6O2/c6-4-2-1-3-5(7)8;1-2-3(4)5/h6H,1-4H2,(H,7,8);2H2,1H3,(H,4,5)/p-1.
What are the key properties of 5-hydroxypentanoate;propanoic acid?
5-hydroxypentanoate;propanoic acid has a molecular weight of 191.20 g/mol, XLogP of -0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentanoate;propanoic acid is sourced from PubChem (CID 91421786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).