5-(dibutylamino)-5-oxopentanoate

C13H24NO3- — CID 3678937

IUPAC5-(dibutylamino)-5-oxopentanoate
SMILESCCCCN(CCCC)C(=O)CCCC(=O)[O-]
InChIInChI=1S/C13H25NO3/c1-3-5-10-14(11-6-4-2)12(15)8-7-9-13(16)17/h3-11H2,1-2H3,(H,16,17)/p-1
InChIKeyDYTDXFORVITPGA-UHFFFAOYSA-M
MW242.34 g/mol
LogP1.34
Rot. Bonds10

About 5-(dibutylamino)-5-oxopentanoate

5-(dibutylamino)-5-oxopentanoate (PubChem CID 3678937) has the molecular formula C13H24NO3- and a molecular weight of 242.34 g/mol. Its IUPAC name is 5-(dibutylamino)-5-oxopentanoate.

Molecular Properties

Compound Name5-(dibutylamino)-5-oxopentanoate
PubChem CID3678937
Molecular FormulaC13H24NO3-
Molecular Weight242.34 g/mol
Exact Mass242.18
IUPAC Name5-(dibutylamino)-5-oxopentanoate
SMILESCCCCN(CCCC)C(=O)CCCC(=O)[O-]
InChIInChI=1S/C13H25NO3/c1-3-5-10-14(11-6-4-2)12(15)8-7-9-13(16)17/h3-11H2,1-2H3,(H,16,17)/p-1
InChIKeyDYTDXFORVITPGA-UHFFFAOYSA-M
XLogP1.34
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

disodium;3-[4-[2-carboxylatoethyl(tridecanoyl)amino]butyl-tridecanoylamino]propanoate
CID 101256932
disodium;3-[2-[2-carboxylatoethyl(dodecanoyl)amino]ethyl-dodecanoylamino]propanoate
CID 101074604
N-butyl-N-octyldecanamide
CID 18913402
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N-butyl-N-ethylpentanamide
CID 4629847
N,N-di(undecyl)pentanamide
CID 532896
N,N-dioctyltetradecanamide
CID 169083302
N,N-dibutyl-3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide
CID 559874
N-(2-aminoethyl)-N-butylheptanamide
CID 114754100
N-(2-bromoethyl)-N-butyloctanamide
CID 80658698
barium(2+);bis(pentanoate)
CID 14619942

Frequently Asked Questions

What is the IUPAC name of 5-(dibutylamino)-5-oxopentanoate?
The IUPAC name of 5-(dibutylamino)-5-oxopentanoate (CID 3678937) is 5-(dibutylamino)-5-oxopentanoate.
What is the SMILES notation for 5-(dibutylamino)-5-oxopentanoate?
The canonical SMILES for 5-(dibutylamino)-5-oxopentanoate is CCCCN(CCCC)C(=O)CCCC(=O)[O-].
What is the InChIKey of 5-(dibutylamino)-5-oxopentanoate?
The InChIKey is DYTDXFORVITPGA-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H25NO3/c1-3-5-10-14(11-6-4-2)12(15)8-7-9-13(16)17/h3-11H2,1-2H3,(H,16,17)/p-1.
What are the key properties of 5-(dibutylamino)-5-oxopentanoate?
5-(dibutylamino)-5-oxopentanoate has a molecular weight of 242.34 g/mol, XLogP of 1.34, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dibutylamino)-5-oxopentanoate is sourced from PubChem (CID 3678937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).