2-[methyl(octanoyl)amino]acetic acid

C11H21NO3 — CID 3611914

IUPAC2-[methyl(octanoyl)amino]acetic acid
SMILESCCCCCCCC(=O)N(C)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-3-4-5-6-7-8-10(13)12(2)9-11(14)15/h3-9H2,1-2H3,(H,14,15)
InChIKeyZSVCWNGWNORSJG-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.89
Rot. Bonds8

About 2-[methyl(octanoyl)amino]acetic acid

2-[methyl(octanoyl)amino]acetic acid (PubChem CID 3611914) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[methyl(octanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(octanoyl)amino]acetic acid
PubChem CID3611914
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[methyl(octanoyl)amino]acetic acid
SMILESCCCCCCCC(=O)N(C)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-3-4-5-6-7-8-10(13)12(2)9-11(14)15/h3-9H2,1-2H3,(H,14,15)
InChIKeyZSVCWNGWNORSJG-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 2-[methyl(octanoyl)amino]acetic acid?
The IUPAC name of 2-[methyl(octanoyl)amino]acetic acid (CID 3611914) is 2-[methyl(octanoyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(octanoyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(octanoyl)amino]acetic acid is CCCCCCCC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl(octanoyl)amino]acetic acid?
The InChIKey is ZSVCWNGWNORSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-4-5-6-7-8-10(13)12(2)9-11(14)15/h3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[methyl(octanoyl)amino]acetic acid?
2-[methyl(octanoyl)amino]acetic 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 2-[methyl(octanoyl)amino]acetic acid is sourced from PubChem (CID 3611914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).