butanoic acid;4-oxopentanoic acid

C9H16O5 — CID 87275354

IUPACbutanoic acid;4-oxopentanoic acid
SMILESCC(=O)CCC(=O)O.CCCC(=O)O
InChIInChI=1S/C5H8O3.C4H8O2/c1-4(6)2-3-5(7)8;1-2-3-4(5)6/h2-3H2,1H3,(H,7,8);2-3H2,1H3,(H,5,6)
InChIKeyGPFDUIRZVIBICL-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.31
Rot. Bonds5

About butanoic acid;4-oxopentanoic acid

butanoic acid;4-oxopentanoic acid (PubChem CID 87275354) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is butanoic acid;4-oxopentanoic acid.

Molecular Properties

Compound Namebutanoic acid;4-oxopentanoic acid
PubChem CID87275354
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Namebutanoic acid;4-oxopentanoic acid
SMILESCC(=O)CCC(=O)O.CCCC(=O)O
InChIInChI=1S/C5H8O3.C4H8O2/c1-4(6)2-3-5(7)8;1-2-3-4(5)6/h2-3H2,1H3,(H,7,8);2-3H2,1H3,(H,5,6)
InChIKeyGPFDUIRZVIBICL-UHFFFAOYSA-N
XLogP1.31
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze butanoic acid;4-oxopentanoic 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

acetic acid;butanoic acid
CID 87533224
4-oxopentanoic acid;zinc
CID 87190982
acetic acid;butanoic acid
CID 158263120
acetic acid;butanoic acid;propan-2-one
CID 88536932
dicalcium;hydride;bis(4-oxopentanoic acid)
CID 174942614
butanoic acid;bis(propan-2-one);zirconium
CID 174504754
butanoic acid;heptahydrofluoride
CID 172757824
dialuminum;butanoic acid
CID 175897781
butanoic acid;copper
CID 57425269
CID 87408506
CID 87408506
butanoic acid;dihydrochloride
CID 173423767
azane;butanoic acid
CID 175057491

Frequently Asked Questions

What is the IUPAC name of butanoic acid;4-oxopentanoic acid?
The IUPAC name of butanoic acid;4-oxopentanoic acid (CID 87275354) is butanoic acid;4-oxopentanoic acid.
What is the SMILES notation for butanoic acid;4-oxopentanoic acid?
The canonical SMILES for butanoic acid;4-oxopentanoic acid is CC(=O)CCC(=O)O.CCCC(=O)O.
What is the InChIKey of butanoic acid;4-oxopentanoic acid?
The InChIKey is GPFDUIRZVIBICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.C4H8O2/c1-4(6)2-3-5(7)8;1-2-3-4(5)6/h2-3H2,1H3,(H,7,8);2-3H2,1H3,(H,5,6).
What are the key properties of butanoic acid;4-oxopentanoic acid?
butanoic acid;4-oxopentanoic acid has a molecular weight of 204.22 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;4-oxopentanoic acid is sourced from PubChem (CID 87275354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).