2-[carboxymethyl(decanoyl)amino]acetic acid

C14H25NO5 — CID 14192070

IUPAC2-[carboxymethyl(decanoyl)amino]acetic acid
SMILESCCCCCCCCCC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C14H25NO5/c1-2-3-4-5-6-7-8-9-12(16)15(10-13(17)18)11-14(19)20/h2-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyMXAWMJKSLZYLSG-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.12
Rot. Bonds12

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

2-[carboxymethyl(decanoyl)amino]acetic acid (PubChem CID 14192070) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[carboxymethyl(decanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(decanoyl)amino]acetic acid
PubChem CID14192070
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name2-[carboxymethyl(decanoyl)amino]acetic acid
SMILESCCCCCCCCCC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C14H25NO5/c1-2-3-4-5-6-7-8-9-12(16)15(10-13(17)18)11-14(19)20/h2-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyMXAWMJKSLZYLSG-UHFFFAOYSA-N
XLogP2.12
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Lauroylsarcosine
CID 7348
Sodium Lauroyl Sarcosinate
CID 23668817
Capryloyl Glycine
CID 84290
Myristoyl Sarcosine
CID 104234
Stearoyl Sarcosine
CID 67339
N-Myristoylglycine
CID 72348
Ammonium Lauroyl Sarcosinate
CID 106358
Potassium Lauroyl Sarcosinate
CID 23679012
Sodium Palmitoyl Sarcosinate
CID 23681905
Sodium Myristoyl Sarcosinate
CID 23687235
N-Lauroylglycine
CID 346152
N-Undecanoylglycine
CID 454092

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(decanoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(decanoyl)amino]acetic acid (CID 14192070) is 2-[carboxymethyl(decanoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(decanoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(decanoyl)amino]acetic acid is CCCCCCCCCC(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(decanoyl)amino]acetic acid?
The InChIKey is MXAWMJKSLZYLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-2-3-4-5-6-7-8-9-12(16)15(10-13(17)18)11-14(19)20/h2-11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[carboxymethyl(decanoyl)amino]acetic acid?
2-[carboxymethyl(decanoyl)amino]acetic acid has a molecular weight of 287.36 g/mol, XLogP of 2.12, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(decanoyl)amino]acetic acid is sourced from PubChem (CID 14192070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).