5-(butanoylamino)-4-oxopentanoic acid

C9H15NO4 — CID 59623988

IUPAC5-(butanoylamino)-4-oxopentanoic acid
SMILESCCCC(=O)NCC(=O)CCC(=O)O
InChIInChI=1S/C9H15NO4/c1-2-3-8(12)10-6-7(11)4-5-9(13)14/h2-6H2,1H3,(H,10,12)(H,13,14)
InChIKeyRAQDFSGDWDEDTE-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.34
Rot. Bonds7

About 5-(butanoylamino)-4-oxopentanoic acid

5-(butanoylamino)-4-oxopentanoic acid (PubChem CID 59623988) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 5-(butanoylamino)-4-oxopentanoic acid.

Molecular Properties

Compound Name5-(butanoylamino)-4-oxopentanoic acid
PubChem CID59623988
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name5-(butanoylamino)-4-oxopentanoic acid
SMILESCCCC(=O)NCC(=O)CCC(=O)O
InChIInChI=1S/C9H15NO4/c1-2-3-8(12)10-6-7(11)4-5-9(13)14/h2-6H2,1H3,(H,10,12)(H,13,14)
InChIKeyRAQDFSGDWDEDTE-UHFFFAOYSA-N
XLogP0.34
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(butanoylamino)-4-oxopentanoic acid?
The IUPAC name of 5-(butanoylamino)-4-oxopentanoic acid (CID 59623988) is 5-(butanoylamino)-4-oxopentanoic acid.
What is the SMILES notation for 5-(butanoylamino)-4-oxopentanoic acid?
The canonical SMILES for 5-(butanoylamino)-4-oxopentanoic acid is CCCC(=O)NCC(=O)CCC(=O)O.
What is the InChIKey of 5-(butanoylamino)-4-oxopentanoic acid?
The InChIKey is RAQDFSGDWDEDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-3-8(12)10-6-7(11)4-5-9(13)14/h2-6H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 5-(butanoylamino)-4-oxopentanoic acid?
5-(butanoylamino)-4-oxopentanoic acid has a molecular weight of 201.22 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butanoylamino)-4-oxopentanoic acid is sourced from PubChem (CID 59623988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).