ethyl 5-(butanoylamino)pentanoate

C11H21NO3 — CID 131842627

IUPACethyl 5-(butanoylamino)pentanoate
SMILESCCCC(=O)NCCCCC(=O)OCC
InChIInChI=1S/C11H21NO3/c1-3-7-10(13)12-9-6-5-8-11(14)15-4-2/h3-9H2,1-2H3,(H,12,13)
InChIKeyQANILXFHSCKRBW-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.64
Rot. Bonds8

About ethyl 5-(butanoylamino)pentanoate

ethyl 5-(butanoylamino)pentanoate (PubChem CID 131842627) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 5-(butanoylamino)pentanoate.

Molecular Properties

Compound Nameethyl 5-(butanoylamino)pentanoate
PubChem CID131842627
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 5-(butanoylamino)pentanoate
SMILESCCCC(=O)NCCCCC(=O)OCC
InChIInChI=1S/C11H21NO3/c1-3-7-10(13)12-9-6-5-8-11(14)15-4-2/h3-9H2,1-2H3,(H,12,13)
InChIKeyQANILXFHSCKRBW-UHFFFAOYSA-N
XLogP1.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(pentanoylamino)butanoate
CID 60654722
ethyl 6-[6-(ethoxycarbonylamino)hexanoylamino]hexanoate
CID 91705286
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
ethyl 6-[(4-ethoxy-4-oxobutyl)carbamoylamino]hexanoate
CID 3344425
5-[(4-ethoxy-4-oxobutyl)amino]-5-oxopentanoic acid
CID 64576360
ethyl 4-[4-(methylamino)butanoylamino]butanoate;hydrochloride
CID 119726258
[4-(octylamino)-4-oxobutyl] octadecanoate
CID 153438746
diethyl hexanedioate
CID 160747628
ethyl 4-(hept-6-ynoylamino)butanoate
CID 103907596
butan-1-amine;N-butylpentanamide;ethanol;ethyl pentanoate
CID 159880902
ethyl 4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butanoate
CID 61149555
ethyl 4-(butylcarbamoylamino)butanoate
CID 60677353

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(butanoylamino)pentanoate?
The IUPAC name of ethyl 5-(butanoylamino)pentanoate (CID 131842627) is ethyl 5-(butanoylamino)pentanoate.
What is the SMILES notation for ethyl 5-(butanoylamino)pentanoate?
The canonical SMILES for ethyl 5-(butanoylamino)pentanoate is CCCC(=O)NCCCCC(=O)OCC.
What is the InChIKey of ethyl 5-(butanoylamino)pentanoate?
The InChIKey is QANILXFHSCKRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-7-10(13)12-9-6-5-8-11(14)15-4-2/h3-9H2,1-2H3,(H,12,13).
What are the key properties of ethyl 5-(butanoylamino)pentanoate?
ethyl 5-(butanoylamino)pentanoate has a molecular weight of 215.29 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(butanoylamino)pentanoate is sourced from PubChem (CID 131842627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).