3-[hexanoyl(methyl)amino]propanoic acid

C10H19NO3 — CID 58879382

IUPAC3-[hexanoyl(methyl)amino]propanoic acid
SMILESCCCCCC(=O)N(C)CCC(=O)O
InChIInChI=1S/C10H19NO3/c1-3-4-5-6-9(12)11(2)8-7-10(13)14/h3-8H2,1-2H3,(H,13,14)
InChIKeyOMLYQIDMEQAGRI-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.50
Rot. Bonds7

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

3-[hexanoyl(methyl)amino]propanoic acid (PubChem CID 58879382) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[hexanoyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[hexanoyl(methyl)amino]propanoic acid
PubChem CID58879382
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-[hexanoyl(methyl)amino]propanoic acid
SMILESCCCCCC(=O)N(C)CCC(=O)O
InChIInChI=1S/C10H19NO3/c1-3-4-5-6-9(12)11(2)8-7-10(13)14/h3-8H2,1-2H3,(H,13,14)
InChIKeyOMLYQIDMEQAGRI-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.50
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-[hexanoyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[hexanoyl(methyl)amino]propanoic acid (CID 58879382) is 3-[hexanoyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[hexanoyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[hexanoyl(methyl)amino]propanoic acid is CCCCCC(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[hexanoyl(methyl)amino]propanoic acid?
The InChIKey is OMLYQIDMEQAGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-4-5-6-9(12)11(2)8-7-10(13)14/h3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-[hexanoyl(methyl)amino]propanoic acid?
3-[hexanoyl(methyl)amino]propanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hexanoyl(methyl)amino]propanoic acid is sourced from PubChem (CID 58879382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).