3-[[5-(2-hydroxyethylamino)pentylamino]methylamino]propanoic acid

C11H25N3O3 — CID 18696256

IUPAC3-[[5-(2-hydroxyethylamino)pentylamino]methylamino]propanoic acid
SMILESO=C(O)CCNCNCCCCCNCCO
InChIInChI=1S/C11H25N3O3/c15-9-8-12-5-2-1-3-6-13-10-14-7-4-11(16)17/h12-15H,1-10H2,(H,16,17)
InChIKeyUHWNKXQEPZKUDF-UHFFFAOYSA-N
MW247.34 g/mol
LogP-0.65
Rot. Bonds13

About 3-[[5-(2-hydroxyethylamino)pentylamino]methylamino]propanoic acid

3-[[5-(2-hydroxyethylamino)pentylamino]methylamino]propanoic acid (PubChem CID 18696256) has the molecular formula C11H25N3O3 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[[5-(2-hydroxyethylamino)pentylamino]methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[5-(2-hydroxyethylamino)pentylamino]methylamino]propanoic acid
PubChem CID18696256
Molecular FormulaC11H25N3O3
Molecular Weight247.34 g/mol
Exact Mass247.19
IUPAC Name3-[[5-(2-hydroxyethylamino)pentylamino]methylamino]propanoic acid
SMILESO=C(O)CCNCNCCCCCNCCO
InChIInChI=1S/C11H25N3O3/c15-9-8-12-5-2-1-3-6-13-10-14-7-4-11(16)17/h12-15H,1-10H2,(H,16,17)
InChIKeyUHWNKXQEPZKUDF-UHFFFAOYSA-N
XLogP-0.65
TPSA93.62 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 5-0.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]butanoic acid
CID 141446490
2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid
CID 6455032
CID 172719967
CID 172719967
5-(5-hydroxypentylamino)pentanoic acid
CID 107318223
bis((2S)-2-aminopropanoic acid);bis(16-(2-hydroxyethylamino)hexadecanoic acid)
CID 173329449
azane;3-(dodecylamino)propanoic acid
CID 174643455
3-(2-carboxyethylamino)propanoic acid;2-hydroxyethanesulfonic acid
CID 89422112
3-[2-(nonylamino)ethylamino]propanoic acid
CID 102117285
4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid
CID 87391029
11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800
15-(3-carboxypropylamino)pentadecanoic acid
CID 87379366
6-(2-hydroxyethylamino)hexylcarbamic acid
CID 18423740

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-hydroxyethylamino)pentylamino]methylamino]propanoic acid?
The IUPAC name of 3-[[5-(2-hydroxyethylamino)pentylamino]methylamino]propanoic acid (CID 18696256) is 3-[[5-(2-hydroxyethylamino)pentylamino]methylamino]propanoic acid.
What is the SMILES notation for 3-[[5-(2-hydroxyethylamino)pentylamino]methylamino]propanoic acid?
The canonical SMILES for 3-[[5-(2-hydroxyethylamino)pentylamino]methylamino]propanoic acid is O=C(O)CCNCNCCCCCNCCO.
What is the InChIKey of 3-[[5-(2-hydroxyethylamino)pentylamino]methylamino]propanoic acid?
The InChIKey is UHWNKXQEPZKUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3/c15-9-8-12-5-2-1-3-6-13-10-14-7-4-11(16)17/h12-15H,1-10H2,(H,16,17).
What are the key properties of 3-[[5-(2-hydroxyethylamino)pentylamino]methylamino]propanoic acid?
3-[[5-(2-hydroxyethylamino)pentylamino]methylamino]propanoic acid has a molecular weight of 247.34 g/mol, XLogP of -0.65, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-hydroxyethylamino)pentylamino]methylamino]propanoic acid is sourced from PubChem (CID 18696256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).