2-[2-[2-(carboxymethylamino)ethylamino]ethylamino]propanoic acid

C9H19N3O4 — CID 140992208

IUPAC2-[2-[2-(carboxymethylamino)ethylamino]ethylamino]propanoic acid
SMILESCC(NCCNCCNCC(=O)O)C(=O)O
InChIInChI=1S/C9H19N3O4/c1-7(9(15)16)12-5-4-10-2-3-11-6-8(13)14/h7,10-12H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyLEMGLGSSGWKTJC-UHFFFAOYSA-N
MW233.27 g/mol
LogP-1.69
Rot. Bonds10

About 2-[2-[2-(carboxymethylamino)ethylamino]ethylamino]propanoic acid

2-[2-[2-(carboxymethylamino)ethylamino]ethylamino]propanoic acid (PubChem CID 140992208) has the molecular formula C9H19N3O4 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[2-[2-(carboxymethylamino)ethylamino]ethylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-[2-(carboxymethylamino)ethylamino]ethylamino]propanoic acid
PubChem CID140992208
Molecular FormulaC9H19N3O4
Molecular Weight233.27 g/mol
Exact Mass233.14
IUPAC Name2-[2-[2-(carboxymethylamino)ethylamino]ethylamino]propanoic acid
SMILESCC(NCCNCCNCC(=O)O)C(=O)O
InChIInChI=1S/C9H19N3O4/c1-7(9(15)16)12-5-4-10-2-3-11-6-8(13)14/h7,10-12H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyLEMGLGSSGWKTJC-UHFFFAOYSA-N
XLogP-1.69
TPSA110.69 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-1.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(carboxymethylamino)ethylamino]ethylamino]propanoic acid?
The IUPAC name of 2-[2-[2-(carboxymethylamino)ethylamino]ethylamino]propanoic acid (CID 140992208) is 2-[2-[2-(carboxymethylamino)ethylamino]ethylamino]propanoic acid.
What is the SMILES notation for 2-[2-[2-(carboxymethylamino)ethylamino]ethylamino]propanoic acid?
The canonical SMILES for 2-[2-[2-(carboxymethylamino)ethylamino]ethylamino]propanoic acid is CC(NCCNCCNCC(=O)O)C(=O)O.
What is the InChIKey of 2-[2-[2-(carboxymethylamino)ethylamino]ethylamino]propanoic acid?
The InChIKey is LEMGLGSSGWKTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4/c1-7(9(15)16)12-5-4-10-2-3-11-6-8(13)14/h7,10-12H,2-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[2-[2-(carboxymethylamino)ethylamino]ethylamino]propanoic acid?
2-[2-[2-(carboxymethylamino)ethylamino]ethylamino]propanoic acid has a molecular weight of 233.27 g/mol, XLogP of -1.69, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(carboxymethylamino)ethylamino]ethylamino]propanoic acid is sourced from PubChem (CID 140992208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).