3-[ethyl(hexanoyl)amino]propanoic acid

C11H21NO3 — CID 61007970

IUPAC3-[ethyl(hexanoyl)amino]propanoic acid
SMILESCCCCCC(=O)N(CC)CCC(=O)O
InChIInChI=1S/C11H21NO3/c1-3-5-6-7-10(13)12(4-2)9-8-11(14)15/h3-9H2,1-2H3,(H,14,15)
InChIKeyBTXLTNAXRPEBCR-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.89
Rot. Bonds8

About 3-[ethyl(hexanoyl)amino]propanoic acid

3-[ethyl(hexanoyl)amino]propanoic acid (PubChem CID 61007970) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[ethyl(hexanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(hexanoyl)amino]propanoic acid
PubChem CID61007970
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[ethyl(hexanoyl)amino]propanoic acid
SMILESCCCCCC(=O)N(CC)CCC(=O)O
InChIInChI=1S/C11H21NO3/c1-3-5-6-7-10(13)12(4-2)9-8-11(14)15/h3-9H2,1-2H3,(H,14,15)
InChIKeyBTXLTNAXRPEBCR-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 3-[ethyl(hexanoyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(hexanoyl)amino]propanoic acid (CID 61007970) is 3-[ethyl(hexanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(hexanoyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(hexanoyl)amino]propanoic acid is CCCCCC(=O)N(CC)CCC(=O)O.
What is the InChIKey of 3-[ethyl(hexanoyl)amino]propanoic acid?
The InChIKey is BTXLTNAXRPEBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-5-6-7-10(13)12(4-2)9-8-11(14)15/h3-9H2,1-2H3,(H,14,15).
What are the key properties of 3-[ethyl(hexanoyl)amino]propanoic acid?
3-[ethyl(hexanoyl)amino]propanoic 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 3-[ethyl(hexanoyl)amino]propanoic acid is sourced from PubChem (CID 61007970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).