2-[2-(2-aminoethylamino)ethylamino]propanedioic acid

C7H15N3O4 — CID 57264345

IUPAC2-[2-(2-aminoethylamino)ethylamino]propanedioic acid
SMILESNCCNCCNC(C(=O)O)C(=O)O
InChIInChI=1S/C7H15N3O4/c8-1-2-9-3-4-10-5(6(11)12)7(13)14/h5,9-10H,1-4,8H2,(H,11,12)(H,13,14)
InChIKeyZEVAIPGUTOEQGN-UHFFFAOYSA-N
MW205.21 g/mol
LogP-2.34
Rot. Bonds8

About 2-[2-(2-aminoethylamino)ethylamino]propanedioic acid

2-[2-(2-aminoethylamino)ethylamino]propanedioic acid (PubChem CID 57264345) has the molecular formula C7H15N3O4 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-[2-(2-aminoethylamino)ethylamino]propanedioic acid.

Molecular Properties

Compound Name2-[2-(2-aminoethylamino)ethylamino]propanedioic acid
PubChem CID57264345
Molecular FormulaC7H15N3O4
Molecular Weight205.21 g/mol
Exact Mass205.11
IUPAC Name2-[2-(2-aminoethylamino)ethylamino]propanedioic acid
SMILESNCCNCCNC(C(=O)O)C(=O)O
InChIInChI=1S/C7H15N3O4/c8-1-2-9-3-4-10-5(6(11)12)7(13)14/h5,9-10H,1-4,8H2,(H,11,12)(H,13,14)
InChIKeyZEVAIPGUTOEQGN-UHFFFAOYSA-N
XLogP-2.34
TPSA124.68 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-2.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethylamino)ethylamino]propanedioic acid?
The IUPAC name of 2-[2-(2-aminoethylamino)ethylamino]propanedioic acid (CID 57264345) is 2-[2-(2-aminoethylamino)ethylamino]propanedioic acid.
What is the SMILES notation for 2-[2-(2-aminoethylamino)ethylamino]propanedioic acid?
The canonical SMILES for 2-[2-(2-aminoethylamino)ethylamino]propanedioic acid is NCCNCCNC(C(=O)O)C(=O)O.
What is the InChIKey of 2-[2-(2-aminoethylamino)ethylamino]propanedioic acid?
The InChIKey is ZEVAIPGUTOEQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O4/c8-1-2-9-3-4-10-5(6(11)12)7(13)14/h5,9-10H,1-4,8H2,(H,11,12)(H,13,14).
What are the key properties of 2-[2-(2-aminoethylamino)ethylamino]propanedioic acid?
2-[2-(2-aminoethylamino)ethylamino]propanedioic acid has a molecular weight of 205.21 g/mol, XLogP of -2.34, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethylamino)ethylamino]propanedioic acid is sourced from PubChem (CID 57264345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).