ethyl 3-(hexanoylamino)propanoate

C11H21NO3 — CID 46835677

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

About ethyl 3-(hexanoylamino)propanoate

ethyl 3-(hexanoylamino)propanoate (PubChem CID 46835677) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 3-(hexanoylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(hexanoylamino)propanoate
PubChem CID46835677
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 3-(hexanoylamino)propanoate
SMILESCCCCCC(=O)NCCC(=O)OCC
InChIInChI=1S/C11H21NO3/c1-3-5-6-7-10(13)12-9-8-11(14)15-4-2/h3-9H2,1-2H3,(H,12,13)
InChIKeyCIQIHYXHUNFHDW-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 ethyl 3-(hexanoylamino)propanoate?
The IUPAC name of ethyl 3-(hexanoylamino)propanoate (CID 46835677) is ethyl 3-(hexanoylamino)propanoate.
What is the SMILES notation for ethyl 3-(hexanoylamino)propanoate?
The canonical SMILES for ethyl 3-(hexanoylamino)propanoate is CCCCCC(=O)NCCC(=O)OCC.
What is the InChIKey of ethyl 3-(hexanoylamino)propanoate?
The InChIKey is CIQIHYXHUNFHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-5-6-7-10(13)12-9-8-11(14)15-4-2/h3-9H2,1-2H3,(H,12,13).
What are the key properties of ethyl 3-(hexanoylamino)propanoate?
ethyl 3-(hexanoylamino)propanoate 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 3-(hexanoylamino)propanoate is sourced from PubChem (CID 46835677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).