methyl 6-(hexanoylamino)hexanoate

C13H25NO3 — CID 43423432

IUPACmethyl 6-(hexanoylamino)hexanoate
SMILESCCCCCC(=O)NCCCCCC(=O)OC
InChIInChI=1S/C13H25NO3/c1-3-4-6-9-12(15)14-11-8-5-7-10-13(16)17-2/h3-11H2,1-2H3,(H,14,15)
InChIKeyMCIGKRJSZYRZCK-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.42
Rot. Bonds10

About methyl 6-(hexanoylamino)hexanoate

methyl 6-(hexanoylamino)hexanoate (PubChem CID 43423432) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is methyl 6-(hexanoylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(hexanoylamino)hexanoate
PubChem CID43423432
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Namemethyl 6-(hexanoylamino)hexanoate
SMILESCCCCCC(=O)NCCCCCC(=O)OC
InChIInChI=1S/C13H25NO3/c1-3-4-6-9-12(15)14-11-8-5-7-10-13(16)17-2/h3-11H2,1-2H3,(H,14,15)
InChIKeyMCIGKRJSZYRZCK-UHFFFAOYSA-N
XLogP2.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.42
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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Frequently Asked Questions

What is the IUPAC name of methyl 6-(hexanoylamino)hexanoate?
The IUPAC name of methyl 6-(hexanoylamino)hexanoate (CID 43423432) is methyl 6-(hexanoylamino)hexanoate.
What is the SMILES notation for methyl 6-(hexanoylamino)hexanoate?
The canonical SMILES for methyl 6-(hexanoylamino)hexanoate is CCCCCC(=O)NCCCCCC(=O)OC.
What is the InChIKey of methyl 6-(hexanoylamino)hexanoate?
The InChIKey is MCIGKRJSZYRZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-4-6-9-12(15)14-11-8-5-7-10-13(16)17-2/h3-11H2,1-2H3,(H,14,15).
What are the key properties of methyl 6-(hexanoylamino)hexanoate?
methyl 6-(hexanoylamino)hexanoate has a molecular weight of 243.35 g/mol, XLogP of 2.42, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(hexanoylamino)hexanoate is sourced from PubChem (CID 43423432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).