4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]butanoic acid

C23H49N3O3 — CID 141446490

IUPAC4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]butanoic acid
SMILESO=C(O)CCCNCCCCNCCCCCCCCCCCCCNCCO
InChIInChI=1S/C23H49N3O3/c27-22-21-26-17-11-9-7-5-3-1-2-4-6-8-10-16-24-18-12-13-19-25-20-14-15-23(28)29/h24-27H,1-22H2,(H,28,29)
InChIKeySXZNHTMXJHZJIK-UHFFFAOYSA-N
MW415.66 g/mol
LogP3.68
Rot. Bonds25

About 4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]butanoic acid

4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]butanoic acid (PubChem CID 141446490) has the molecular formula C23H49N3O3 and a molecular weight of 415.66 g/mol. Its IUPAC name is 4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]butanoic acid.

Molecular Properties

Compound Name4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]butanoic acid
PubChem CID141446490
Molecular FormulaC23H49N3O3
Molecular Weight415.66 g/mol
Exact Mass415.38
IUPAC Name4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]butanoic acid
SMILESO=C(O)CCCNCCCCNCCCCCCCCCCCCCNCCO
InChIInChI=1S/C23H49N3O3/c27-22-21-26-17-11-9-7-5-3-1-2-4-6-8-10-16-24-18-12-13-19-25-20-14-15-23(28)29/h24-27H,1-22H2,(H,28,29)
InChIKeySXZNHTMXJHZJIK-UHFFFAOYSA-N
XLogP3.68
TPSA93.62 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.66
LogP ≤ 53.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]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
5-(5-hydroxypentylamino)pentanoic acid
CID 107318223
3-[[5-(2-hydroxyethylamino)pentylamino]methylamino]propanoic acid
CID 18696256
4-(3-carboxypropylamino)butanoic acid
CID 4072500
11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800
bis((2S)-2-aminopropanoic acid);bis(16-(2-hydroxyethylamino)hexadecanoic acid)
CID 173329449
2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid
CID 6455032
4-[23-(hydroxyamino)tricosylamino]butanoic acid
CID 141334650
CID 172719967
CID 172719967
(Z)-docos-13-enoic acid;2-[[(Z)-octadec-9-enyl]amino]ethanol
CID 87840086
14-(2-aminoethylamino)tetradecanoic acid
CID 173203671

Frequently Asked Questions

What is the IUPAC name of 4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]butanoic acid?
The IUPAC name of 4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]butanoic acid (CID 141446490) is 4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]butanoic acid.
What is the SMILES notation for 4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]butanoic acid?
The canonical SMILES for 4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]butanoic acid is O=C(O)CCCNCCCCNCCCCCCCCCCCCCNCCO.
What is the InChIKey of 4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]butanoic acid?
The InChIKey is SXZNHTMXJHZJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49N3O3/c27-22-21-26-17-11-9-7-5-3-1-2-4-6-8-10-16-24-18-12-13-19-25-20-14-15-23(28)29/h24-27H,1-22H2,(H,28,29).
What are the key properties of 4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]butanoic acid?
4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]butanoic acid has a molecular weight of 415.66 g/mol, XLogP of 3.68, 25 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]butanoic acid is sourced from PubChem (CID 141446490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).