3-hydroxybutanoic acid;4-hydroxybutanoic acid;5-hydroxypentanoic acid

C13H26O9 — CID 175190112

IUPAC3-hydroxybutanoic acid;4-hydroxybutanoic acid;5-hydroxypentanoic acid
SMILESCC(O)CC(=O)O.O=C(O)CCCCO.O=C(O)CCCO
InChIInChI=1S/C5H10O3.2C4H8O3/c6-4-2-1-3-5(7)8;1-3(5)2-4(6)7;5-3-1-2-4(6)7/h6H,1-4H2,(H,7,8);3,5H,2H2,1H3,(H,6,7);5H,1-3H2,(H,6,7)
InChIKeyBUAQGYPDWGVHAY-UHFFFAOYSA-N
MW326.34 g/mol
LogP-0.08
Rot. Bonds9

About 3-hydroxybutanoic acid;4-hydroxybutanoic acid;5-hydroxypentanoic acid

3-hydroxybutanoic acid;4-hydroxybutanoic acid;5-hydroxypentanoic acid (PubChem CID 175190112) has the molecular formula C13H26O9 and a molecular weight of 326.34 g/mol. Its IUPAC name is 3-hydroxybutanoic acid;4-hydroxybutanoic acid;5-hydroxypentanoic acid.

Molecular Properties

Compound Name3-hydroxybutanoic acid;4-hydroxybutanoic acid;5-hydroxypentanoic acid
PubChem CID175190112
Molecular FormulaC13H26O9
Molecular Weight326.34 g/mol
Exact Mass326.16
IUPAC Name3-hydroxybutanoic acid;4-hydroxybutanoic acid;5-hydroxypentanoic acid
SMILESCC(O)CC(=O)O.O=C(O)CCCCO.O=C(O)CCCO
InChIInChI=1S/C5H10O3.2C4H8O3/c6-4-2-1-3-5(7)8;1-3(5)2-4(6)7;5-3-1-2-4(6)7/h6H,1-4H2,(H,7,8);3,5H,2H2,1H3,(H,6,7);5H,1-3H2,(H,6,7)
InChIKeyBUAQGYPDWGVHAY-UHFFFAOYSA-N
XLogP-0.08
TPSA172.59 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-hydroxybutanoic acid;4-hydroxybutanoic acid;5-hydroxypentanoic 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

bis(hexanedioic acid);hexane-1,5-diol
CID 159262275
hexanoic acid;3-hydroxybutanoic acid
CID 174511432
5-hydroxypentanoic acid
CID 25945
ethane;6-hydroxyhexanoic acid
CID 87459132
CID 90459779
CID 90459779
10-hydroxydecanoic acid
CID 138734563
38-hydroxyoctatriacontanoic acid
CID 18981443
31-hydroxyhentriacontanoic acid
CID 71339995
hexane-1,6-diol;tetradecanedioic acid
CID 158984327
ethane-1,1-diol;hexanedioic acid
CID 160553867
butane-1,4-diol;hexanedioic acid;bis(hexane-1,6-diol)
CID 161164712
bis(heptanoic acid);hexane-1,5-diol
CID 87588031

Frequently Asked Questions

What is the IUPAC name of 3-hydroxybutanoic acid;4-hydroxybutanoic acid;5-hydroxypentanoic acid?
The IUPAC name of 3-hydroxybutanoic acid;4-hydroxybutanoic acid;5-hydroxypentanoic acid (CID 175190112) is 3-hydroxybutanoic acid;4-hydroxybutanoic acid;5-hydroxypentanoic acid.
What is the SMILES notation for 3-hydroxybutanoic acid;4-hydroxybutanoic acid;5-hydroxypentanoic acid?
The canonical SMILES for 3-hydroxybutanoic acid;4-hydroxybutanoic acid;5-hydroxypentanoic acid is CC(O)CC(=O)O.O=C(O)CCCCO.O=C(O)CCCO.
What is the InChIKey of 3-hydroxybutanoic acid;4-hydroxybutanoic acid;5-hydroxypentanoic acid?
The InChIKey is BUAQGYPDWGVHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.2C4H8O3/c6-4-2-1-3-5(7)8;1-3(5)2-4(6)7;5-3-1-2-4(6)7/h6H,1-4H2,(H,7,8);3,5H,2H2,1H3,(H,6,7);5H,1-3H2,(H,6,7).
What are the key properties of 3-hydroxybutanoic acid;4-hydroxybutanoic acid;5-hydroxypentanoic acid?
3-hydroxybutanoic acid;4-hydroxybutanoic acid;5-hydroxypentanoic acid has a molecular weight of 326.34 g/mol, XLogP of -0.08, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybutanoic acid;4-hydroxybutanoic acid;5-hydroxypentanoic acid is sourced from PubChem (CID 175190112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).