methyl 6-(butanoylamino)hexanoate

C11H21NO3 — CID 43404546

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

About methyl 6-(butanoylamino)hexanoate

methyl 6-(butanoylamino)hexanoate (PubChem CID 43404546) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 6-(butanoylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(butanoylamino)hexanoate
PubChem CID43404546
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 6-(butanoylamino)hexanoate
SMILESCCCC(=O)NCCCCCC(=O)OC
InChIInChI=1S/C11H21NO3/c1-3-7-10(13)12-9-6-4-5-8-11(14)15-2/h3-9H2,1-2H3,(H,12,13)
InChIKeyMWEVJBUMLIBDAL-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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Frequently Asked Questions

What is the IUPAC name of methyl 6-(butanoylamino)hexanoate?
The IUPAC name of methyl 6-(butanoylamino)hexanoate (CID 43404546) is methyl 6-(butanoylamino)hexanoate.
What is the SMILES notation for methyl 6-(butanoylamino)hexanoate?
The canonical SMILES for methyl 6-(butanoylamino)hexanoate is CCCC(=O)NCCCCCC(=O)OC.
What is the InChIKey of methyl 6-(butanoylamino)hexanoate?
The InChIKey is MWEVJBUMLIBDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-7-10(13)12-9-6-4-5-8-11(14)15-2/h3-9H2,1-2H3,(H,12,13).
What are the key properties of methyl 6-(butanoylamino)hexanoate?
methyl 6-(butanoylamino)hexanoate 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 methyl 6-(butanoylamino)hexanoate is sourced from PubChem (CID 43404546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).