2-(tetracosanoylamino)acetic acid

C26H51NO3 — CID 53481665

IUPAC2-(tetracosanoylamino)acetic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O
InChIInChI=1S/C26H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(28)27-24-26(29)30/h2-24H2,1H3,(H,27,28)(H,29,30)
InChIKeyALGJSAHUUYIAIZ-UHFFFAOYSA-N
MW425.70 g/mol
LogP7.79
Rot. Bonds24

About 2-(tetracosanoylamino)acetic acid

2-(tetracosanoylamino)acetic acid (PubChem CID 53481665) has the molecular formula C26H51NO3 and a molecular weight of 425.70 g/mol. Its IUPAC name is 2-(tetracosanoylamino)acetic acid.

Molecular Properties

Compound Name2-(tetracosanoylamino)acetic acid
PubChem CID53481665
Molecular FormulaC26H51NO3
Molecular Weight425.70 g/mol
Exact Mass425.39
IUPAC Name2-(tetracosanoylamino)acetic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O
InChIInChI=1S/C26H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(28)27-24-26(29)30/h2-24H2,1H3,(H,27,28)(H,29,30)
InChIKeyALGJSAHUUYIAIZ-UHFFFAOYSA-N
XLogP7.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.70
LogP ≤ 57.79
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

CID 4671
CID 4671
CID 27902
CID 27902
CID 7348
CID 7348
CID 151008
CID 151008
CID 84290
CID 84290
CID 99463
CID 99463
CID 20280
CID 20280
CID 104234
CID 104234
CID 8890
CID 8890
CID 3023585
CID 3023585
CID 67339
CID 67339
CID 3787294
CID 3787294

Frequently Asked Questions

What is the IUPAC name of 2-(tetracosanoylamino)acetic acid?
The IUPAC name of 2-(tetracosanoylamino)acetic acid (CID 53481665) is 2-(tetracosanoylamino)acetic acid.
What is the SMILES notation for 2-(tetracosanoylamino)acetic acid?
The canonical SMILES for 2-(tetracosanoylamino)acetic acid is CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O.
What is the InChIKey of 2-(tetracosanoylamino)acetic acid?
The InChIKey is ALGJSAHUUYIAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(28)27-24-26(29)30/h2-24H2,1H3,(H,27,28)(H,29,30).
What are the key properties of 2-(tetracosanoylamino)acetic acid?
2-(tetracosanoylamino)acetic acid has a molecular weight of 425.70 g/mol, XLogP of 7.79, 24 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetracosanoylamino)acetic acid is sourced from PubChem (CID 53481665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).