2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylimino]propanoic acid

C11H25N5O2 — CID 101181873

IUPAC2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylimino]propanoic acid
SMILESC/C(=N\CCNCCNCCNCCN)C(=O)O
InChIInChI=1S/C11H25N5O2/c1-10(11(17)18)16-9-8-15-7-6-14-5-4-13-3-2-12/h13-15H,2-9,12H2,1H3,(H,17,18)/b16-10+
InChIKeySTHAYCUTDJPNBE-MHWRWJLKSA-N
MW259.35 g/mol
LogP-1.74
Rot. Bonds12

About 2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylimino]propanoic acid

2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylimino]propanoic acid (PubChem CID 101181873) has the molecular formula C11H25N5O2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylimino]propanoic acid.

Molecular Properties

Compound Name2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylimino]propanoic acid
PubChem CID101181873
Molecular FormulaC11H25N5O2
Molecular Weight259.35 g/mol
Exact Mass259.20
IUPAC Name2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylimino]propanoic acid
SMILESC/C(=N\CCNCCNCCNCCN)C(=O)O
InChIInChI=1S/C11H25N5O2/c1-10(11(17)18)16-9-8-15-7-6-14-5-4-13-3-2-12/h13-15H,2-9,12H2,1H3,(H,17,18)/b16-10+
InChIKeySTHAYCUTDJPNBE-MHWRWJLKSA-N
XLogP-1.74
TPSA111.77 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-1.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;propanoic acid
CID 162136252
2-[2-[Bis[2-(1-carboxyethylideneamino)ethyl]amino]ethylimino]propanoic acid
CID 15807183
2-[2-[2-Aminoethyl-[2-(1-carboxyethylideneamino)ethyl]amino]ethylimino]propanoic acid
CID 57032577
2-(2-Aminoethylimino)propanoic acid
CID 88265524
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;propanoic acid
CID 175462880
2-[2-[4-[2-(1-Carboxyethylideneamino)ethyl]-1,4,7-triazonan-1-yl]ethylimino]propanoic acid
CID 12059671
Propanoic acid;1,4,7,10-tetrazacyclododecane
CID 71677186
2-[2-[2-[2-(1-Carboxyethylideneamino)ethylamino]ethylamino]ethylimino]propanoic acid
CID 101558807
(2S)-2-[2-[2-[2-(1-carboxyethylideneamino)ethylamino]ethylamino]ethylamino]propanoic acid
CID 139157707
(2R)-2-[2-[2-[2-(1-carboxyethylideneamino)ethylamino]ethylamino]ethylamino]propanoic acid
CID 139157708

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylimino]propanoic acid?
The IUPAC name of 2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylimino]propanoic acid (CID 101181873) is 2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylimino]propanoic acid.
What is the SMILES notation for 2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylimino]propanoic acid?
The canonical SMILES for 2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylimino]propanoic acid is C/C(=N\CCNCCNCCNCCN)C(=O)O.
What is the InChIKey of 2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylimino]propanoic acid?
The InChIKey is STHAYCUTDJPNBE-MHWRWJLKSA-N. The full InChI is InChI=1S/C11H25N5O2/c1-10(11(17)18)16-9-8-15-7-6-14-5-4-13-3-2-12/h13-15H,2-9,12H2,1H3,(H,17,18)/b16-10+.
What are the key properties of 2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylimino]propanoic acid?
2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylimino]propanoic acid has a molecular weight of 259.35 g/mol, XLogP of -1.74, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylimino]propanoic acid is sourced from PubChem (CID 101181873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).