24-amino-24-oxotetracosanoic acid

C24H47NO3 — CID 139682769

IUPAC24-amino-24-oxotetracosanoic acid
SMILESNC(=O)CCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C24H47NO3/c25-23(26)21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24(27)28/h1-22H2,(H2,25,26)(H,27,28)
InChIKeyAXXVHLGLSWKOLZ-UHFFFAOYSA-N
MW397.64 g/mol
LogP7.14
Rot. Bonds23

About 24-amino-24-oxotetracosanoic acid

24-amino-24-oxotetracosanoic acid (PubChem CID 139682769) has the molecular formula C24H47NO3 and a molecular weight of 397.64 g/mol. Its IUPAC name is 24-amino-24-oxotetracosanoic acid.

Molecular Properties

Compound Name24-amino-24-oxotetracosanoic acid
PubChem CID139682769
Molecular FormulaC24H47NO3
Molecular Weight397.64 g/mol
Exact Mass397.36
IUPAC Name24-amino-24-oxotetracosanoic acid
SMILESNC(=O)CCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C24H47NO3/c25-23(26)21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24(27)28/h1-22H2,(H2,25,26)(H,27,28)
InChIKeyAXXVHLGLSWKOLZ-UHFFFAOYSA-N
XLogP7.14
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.64
LogP ≤ 57.14
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

34-amino-34-oxotetratriacontanoic acid
CID 139682719
10-amino-10-oxodecanoic acid;cyclohexane
CID 67918729
dodecanamide;hexanoic acid
CID 19807771
dodecanamide;dodecanoic acid
CID 23079031
nonatetracontanediamide
CID 162734608
pentadecanediamide
CID 87429217
tridecanedioic acid;undecanedioic acid
CID 158333715
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
dodecanediamide;nonanediamide
CID 175017820
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294

Frequently Asked Questions

What is the IUPAC name of 24-amino-24-oxotetracosanoic acid?
The IUPAC name of 24-amino-24-oxotetracosanoic acid (CID 139682769) is 24-amino-24-oxotetracosanoic acid.
What is the SMILES notation for 24-amino-24-oxotetracosanoic acid?
The canonical SMILES for 24-amino-24-oxotetracosanoic acid is NC(=O)CCCCCCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 24-amino-24-oxotetracosanoic acid?
The InChIKey is AXXVHLGLSWKOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO3/c25-23(26)21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24(27)28/h1-22H2,(H2,25,26)(H,27,28).
What are the key properties of 24-amino-24-oxotetracosanoic acid?
24-amino-24-oxotetracosanoic acid has a molecular weight of 397.64 g/mol, XLogP of 7.14, 23 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 24-amino-24-oxotetracosanoic acid is sourced from PubChem (CID 139682769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).