6-[ethyl(propanoyl)amino]hexanoic acid

C11H21NO3 — CID 59685124

IUPAC6-[ethyl(propanoyl)amino]hexanoic acid
SMILESCCC(=O)N(CC)CCCCCC(=O)O
InChIInChI=1S/C11H21NO3/c1-3-10(13)12(4-2)9-7-5-6-8-11(14)15/h3-9H2,1-2H3,(H,14,15)
InChIKeyJLTOVFVLKAAULL-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.89
Rot. Bonds8

About 6-[ethyl(propanoyl)amino]hexanoic acid

6-[ethyl(propanoyl)amino]hexanoic acid (PubChem CID 59685124) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 6-[ethyl(propanoyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[ethyl(propanoyl)amino]hexanoic acid
PubChem CID59685124
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name6-[ethyl(propanoyl)amino]hexanoic acid
SMILESCCC(=O)N(CC)CCCCCC(=O)O
InChIInChI=1S/C11H21NO3/c1-3-10(13)12(4-2)9-7-5-6-8-11(14)15/h3-9H2,1-2H3,(H,14,15)
InChIKeyJLTOVFVLKAAULL-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-[ethyl(propanoyl)amino]hexanoic acid?
The IUPAC name of 6-[ethyl(propanoyl)amino]hexanoic acid (CID 59685124) is 6-[ethyl(propanoyl)amino]hexanoic acid.
What is the SMILES notation for 6-[ethyl(propanoyl)amino]hexanoic acid?
The canonical SMILES for 6-[ethyl(propanoyl)amino]hexanoic acid is CCC(=O)N(CC)CCCCCC(=O)O.
What is the InChIKey of 6-[ethyl(propanoyl)amino]hexanoic acid?
The InChIKey is JLTOVFVLKAAULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-10(13)12(4-2)9-7-5-6-8-11(14)15/h3-9H2,1-2H3,(H,14,15).
What are the key properties of 6-[ethyl(propanoyl)amino]hexanoic acid?
6-[ethyl(propanoyl)amino]hexanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(propanoyl)amino]hexanoic acid is sourced from PubChem (CID 59685124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).