2-(docosanoylamino)acetic acid

C24H47NO3 — CID 21445006

IUPAC2-(docosanoylamino)acetic acid
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O
InChIInChI=1S/C24H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)25-22-24(27)28/h2-22H2,1H3,(H,25,26)(H,27,28)
InChIKeyYQPHTLSGFSVOOM-UHFFFAOYSA-N
MW397.64 g/mol
LogP7.01
Rot. Bonds22

About 2-(docosanoylamino)acetic acid

2-(docosanoylamino)acetic acid (PubChem CID 21445006) has the molecular formula C24H47NO3 and a molecular weight of 397.64 g/mol. Its IUPAC name is 2-(docosanoylamino)acetic acid.

Molecular Properties

Compound Name2-(docosanoylamino)acetic acid
PubChem CID21445006
Molecular FormulaC24H47NO3
Molecular Weight397.64 g/mol
Exact Mass397.36
IUPAC Name2-(docosanoylamino)acetic acid
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O
InChIInChI=1S/C24H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)25-22-24(27)28/h2-22H2,1H3,(H,25,26)(H,27,28)
InChIKeyYQPHTLSGFSVOOM-UHFFFAOYSA-N
XLogP7.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.64
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Palmitoylethanolamide
CID 4671
N-Stearoylethanolamine
CID 27902
Lauroylsarcosine
CID 7348
N-Palmitoylglycine
CID 151008
Capryloyl Glycine
CID 84290
Hexanoylglycine
CID 99463
Lauramidopropylbetaine
CID 20280
Myristoyl Sarcosine
CID 104234
N-Myristoylethanolamine
CID 8890
behenamide MEA
CID 3023585
Stearoyl Sarcosine
CID 67339
eicosanoyl-EA
CID 3787294

Frequently Asked Questions

What is the IUPAC name of 2-(docosanoylamino)acetic acid?
The IUPAC name of 2-(docosanoylamino)acetic acid (CID 21445006) is 2-(docosanoylamino)acetic acid.
What is the SMILES notation for 2-(docosanoylamino)acetic acid?
The canonical SMILES for 2-(docosanoylamino)acetic acid is CCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O.
What is the InChIKey of 2-(docosanoylamino)acetic acid?
The InChIKey is YQPHTLSGFSVOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)25-22-24(27)28/h2-22H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 2-(docosanoylamino)acetic acid?
2-(docosanoylamino)acetic acid has a molecular weight of 397.64 g/mol, XLogP of 7.01, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(docosanoylamino)acetic acid is sourced from PubChem (CID 21445006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).