2-[decanoyl(methyl)amino]acetic acid

C13H25NO3 — CID 4216818

IUPAC2-[decanoyl(methyl)amino]acetic acid
SMILESCCCCCCCCCC(=O)N(C)CC(=O)O
InChIInChI=1S/C13H25NO3/c1-3-4-5-6-7-8-9-10-12(15)14(2)11-13(16)17/h3-11H2,1-2H3,(H,16,17)
InChIKeyLERPQJNGDVCXSI-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.67
Rot. Bonds10

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

2-[decanoyl(methyl)amino]acetic acid (PubChem CID 4216818) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[decanoyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[decanoyl(methyl)amino]acetic acid
PubChem CID4216818
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[decanoyl(methyl)amino]acetic acid
SMILESCCCCCCCCCC(=O)N(C)CC(=O)O
InChIInChI=1S/C13H25NO3/c1-3-4-5-6-7-8-9-10-12(15)14(2)11-13(16)17/h3-11H2,1-2H3,(H,16,17)
InChIKeyLERPQJNGDVCXSI-UHFFFAOYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.67
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-[decanoyl(methyl)amino]acetic acid?
The IUPAC name of 2-[decanoyl(methyl)amino]acetic acid (CID 4216818) is 2-[decanoyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[decanoyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[decanoyl(methyl)amino]acetic acid is CCCCCCCCCC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[decanoyl(methyl)amino]acetic acid?
The InChIKey is LERPQJNGDVCXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-4-5-6-7-8-9-10-12(15)14(2)11-13(16)17/h3-11H2,1-2H3,(H,16,17).
What are the key properties of 2-[decanoyl(methyl)amino]acetic acid?
2-[decanoyl(methyl)amino]acetic acid has a molecular weight of 243.35 g/mol, XLogP of 2.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[decanoyl(methyl)amino]acetic acid is sourced from PubChem (CID 4216818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).