methyl 6-(propanoylamino)hexanoate

C10H19NO3 — CID 43404555

IUPACmethyl 6-(propanoylamino)hexanoate
SMILESCCC(=O)NCCCCCC(=O)OC
InChIInChI=1S/C10H19NO3/c1-3-9(12)11-8-6-4-5-7-10(13)14-2/h3-8H2,1-2H3,(H,11,12)
InChIKeySHGMGFIQKQOQRQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.25
Rot. Bonds7

About methyl 6-(propanoylamino)hexanoate

methyl 6-(propanoylamino)hexanoate (PubChem CID 43404555) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 6-(propanoylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(propanoylamino)hexanoate
PubChem CID43404555
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 6-(propanoylamino)hexanoate
SMILESCCC(=O)NCCCCCC(=O)OC
InChIInChI=1S/C10H19NO3/c1-3-9(12)11-8-6-4-5-7-10(13)14-2/h3-8H2,1-2H3,(H,11,12)
InChIKeySHGMGFIQKQOQRQ-UHFFFAOYSA-N
XLogP1.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.25
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-(propanoylamino)hexanoate?
The IUPAC name of methyl 6-(propanoylamino)hexanoate (CID 43404555) is methyl 6-(propanoylamino)hexanoate.
What is the SMILES notation for methyl 6-(propanoylamino)hexanoate?
The canonical SMILES for methyl 6-(propanoylamino)hexanoate is CCC(=O)NCCCCCC(=O)OC.
What is the InChIKey of methyl 6-(propanoylamino)hexanoate?
The InChIKey is SHGMGFIQKQOQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-9(12)11-8-6-4-5-7-10(13)14-2/h3-8H2,1-2H3,(H,11,12).
What are the key properties of methyl 6-(propanoylamino)hexanoate?
methyl 6-(propanoylamino)hexanoate has a molecular weight of 201.27 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(propanoylamino)hexanoate is sourced from PubChem (CID 43404555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).