2-(tricosanoylamino)acetic acid

C25H49NO3 — CID 45357456

IUPAC2-(tricosanoylamino)acetic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O
InChIInChI=1S/C25H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(27)26-23-25(28)29/h2-23H2,1H3,(H,26,27)(H,28,29)
InChIKeyRDUKYODUVJPRLK-UHFFFAOYSA-N
MW411.67 g/mol
LogP7.40
Rot. Bonds23

About 2-(tricosanoylamino)acetic acid

2-(tricosanoylamino)acetic acid (PubChem CID 45357456) has the molecular formula C25H49NO3 and a molecular weight of 411.67 g/mol. Its IUPAC name is 2-(tricosanoylamino)acetic acid.

Molecular Properties

Compound Name2-(tricosanoylamino)acetic acid
PubChem CID45357456
Molecular FormulaC25H49NO3
Molecular Weight411.67 g/mol
Exact Mass411.37
IUPAC Name2-(tricosanoylamino)acetic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O
InChIInChI=1S/C25H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(27)26-23-25(28)29/h2-23H2,1H3,(H,26,27)(H,28,29)
InChIKeyRDUKYODUVJPRLK-UHFFFAOYSA-N
XLogP7.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.67
LogP ≤ 57.40
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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Frequently Asked Questions

What is the IUPAC name of 2-(tricosanoylamino)acetic acid?
The IUPAC name of 2-(tricosanoylamino)acetic acid (CID 45357456) is 2-(tricosanoylamino)acetic acid.
What is the SMILES notation for 2-(tricosanoylamino)acetic acid?
The canonical SMILES for 2-(tricosanoylamino)acetic acid is CCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O.
What is the InChIKey of 2-(tricosanoylamino)acetic acid?
The InChIKey is RDUKYODUVJPRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(27)26-23-25(28)29/h2-23H2,1H3,(H,26,27)(H,28,29).
What are the key properties of 2-(tricosanoylamino)acetic acid?
2-(tricosanoylamino)acetic acid has a molecular weight of 411.67 g/mol, XLogP of 7.40, 23 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tricosanoylamino)acetic acid is sourced from PubChem (CID 45357456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).