butanoic acid;3-hydroxybutanoic acid

C8H16O5 — CID 131984541

IUPACbutanoic acid;3-hydroxybutanoic acid
SMILESCC(O)CC(=O)O.CCCC(=O)O
InChIInChI=1S/C4H8O3.C4H8O2/c1-3(5)2-4(6)7;1-2-3-4(5)6/h3,5H,2H2,1H3,(H,6,7);2-3H2,1H3,(H,5,6)
InChIKeyXEJMYMDURBROCI-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.71
Rot. Bonds4

About butanoic acid;3-hydroxybutanoic acid

butanoic acid;3-hydroxybutanoic acid (PubChem CID 131984541) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is butanoic acid;3-hydroxybutanoic acid.

Molecular Properties

Compound Namebutanoic acid;3-hydroxybutanoic acid
PubChem CID131984541
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Namebutanoic acid;3-hydroxybutanoic acid
SMILESCC(O)CC(=O)O.CCCC(=O)O
InChIInChI=1S/C4H8O3.C4H8O2/c1-3(5)2-4(6)7;1-2-3-4(5)6/h3,5H,2H2,1H3,(H,6,7);2-3H2,1H3,(H,5,6)
InChIKeyXEJMYMDURBROCI-UHFFFAOYSA-N
XLogP0.71
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze butanoic acid;3-hydroxybutanoic 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

hexanoic acid;3-hydroxybutanoic acid
CID 174511432
CID 90459779
CID 90459779
1-aminoethanol;butanoic acid
CID 173051358
sodium;hydride;(3S)-3-hydroxybutanoic acid
CID 173289884
butanoic acid;cyclohexane;propan-2-ol
CID 70428502
butanoic acid;2-methylpropanoic acid
CID 87150327
ethoxyethane;3-hydroxybutanoic acid
CID 86729964
butanoic acid;praseodymium
CID 88777452
dialuminum;butanoic acid
CID 175897781
butanoic acid;heptahydrofluoride
CID 172757824
butanoic acid;copper
CID 57425269
CID 87408506
CID 87408506

Frequently Asked Questions

What is the IUPAC name of butanoic acid;3-hydroxybutanoic acid?
The IUPAC name of butanoic acid;3-hydroxybutanoic acid (CID 131984541) is butanoic acid;3-hydroxybutanoic acid.
What is the SMILES notation for butanoic acid;3-hydroxybutanoic acid?
The canonical SMILES for butanoic acid;3-hydroxybutanoic acid is CC(O)CC(=O)O.CCCC(=O)O.
What is the InChIKey of butanoic acid;3-hydroxybutanoic acid?
The InChIKey is XEJMYMDURBROCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.C4H8O2/c1-3(5)2-4(6)7;1-2-3-4(5)6/h3,5H,2H2,1H3,(H,6,7);2-3H2,1H3,(H,5,6).
What are the key properties of butanoic acid;3-hydroxybutanoic acid?
butanoic acid;3-hydroxybutanoic acid has a molecular weight of 192.21 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;3-hydroxybutanoic acid is sourced from PubChem (CID 131984541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).