4-[23-(hydroxyamino)tricosylamino]butanoic acid

C27H56N2O3 — CID 141334650

IUPAC4-[23-(hydroxyamino)tricosylamino]butanoic acid
SMILESO=C(O)CCCNCCCCCCCCCCCCCCCCCCCCCCCNO
InChIInChI=1S/C27H56N2O3/c30-27(31)23-22-25-28-24-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-26-29-32/h28-29,32H,1-26H2,(H,30,31)
InChIKeyRXGLXQRGJSZEQF-UHFFFAOYSA-N
MW456.76 g/mol
LogP7.61
Rot. Bonds28

About 4-[23-(hydroxyamino)tricosylamino]butanoic acid

4-[23-(hydroxyamino)tricosylamino]butanoic acid (PubChem CID 141334650) has the molecular formula C27H56N2O3 and a molecular weight of 456.76 g/mol. Its IUPAC name is 4-[23-(hydroxyamino)tricosylamino]butanoic acid.

Molecular Properties

Compound Name4-[23-(hydroxyamino)tricosylamino]butanoic acid
PubChem CID141334650
Molecular FormulaC27H56N2O3
Molecular Weight456.76 g/mol
Exact Mass456.43
IUPAC Name4-[23-(hydroxyamino)tricosylamino]butanoic acid
SMILESO=C(O)CCCNCCCCCCCCCCCCCCCCCCCCCCCNO
InChIInChI=1S/C27H56N2O3/c30-27(31)23-22-25-28-24-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-26-29-32/h28-29,32H,1-26H2,(H,30,31)
InChIKeyRXGLXQRGJSZEQF-UHFFFAOYSA-N
XLogP7.61
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.76
LogP ≤ 57.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[23-(hydroxyamino)tricosylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

15-(3-carboxypropylamino)pentadecanoic acid
CID 87379366
4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid
CID 87391029
4-(3-carboxypropylamino)butanoic acid
CID 4072500
11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800
4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]butanoic acid
CID 141446490
N-(6-aminohexyl)hydroxylamine;hexanedioic acid
CID 160744161
14-(2-aminoethylamino)tetradecanoic acid
CID 173203671
5-(5-hydroxypentylamino)pentanoic acid
CID 107318223
sodium;hydride;4-(octadecylamino)butanoic acid
CID 175150235
6-(2-bromoethylamino)hexanoic acid
CID 102350693
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086

Frequently Asked Questions

What is the IUPAC name of 4-[23-(hydroxyamino)tricosylamino]butanoic acid?
The IUPAC name of 4-[23-(hydroxyamino)tricosylamino]butanoic acid (CID 141334650) is 4-[23-(hydroxyamino)tricosylamino]butanoic acid.
What is the SMILES notation for 4-[23-(hydroxyamino)tricosylamino]butanoic acid?
The canonical SMILES for 4-[23-(hydroxyamino)tricosylamino]butanoic acid is O=C(O)CCCNCCCCCCCCCCCCCCCCCCCCCCCNO.
What is the InChIKey of 4-[23-(hydroxyamino)tricosylamino]butanoic acid?
The InChIKey is RXGLXQRGJSZEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56N2O3/c30-27(31)23-22-25-28-24-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-26-29-32/h28-29,32H,1-26H2,(H,30,31).
What are the key properties of 4-[23-(hydroxyamino)tricosylamino]butanoic acid?
4-[23-(hydroxyamino)tricosylamino]butanoic acid has a molecular weight of 456.76 g/mol, XLogP of 7.61, 28 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[23-(hydroxyamino)tricosylamino]butanoic acid is sourced from PubChem (CID 141334650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).