3-[2-(2-carboxyethylamino)ethylamino]propanoic acid;dihydrochloride

C8H18Cl2N2O4 — CID 11437359

IUPAC3-[2-(2-carboxyethylamino)ethylamino]propanoic acid;dihydrochloride
SMILESCl.Cl.O=C(O)CCNCCNCCC(=O)O
InChIInChI=1S/C8H16N2O4.2ClH/c11-7(12)1-3-9-5-6-10-4-2-8(13)14;;/h9-10H,1-6H2,(H,11,12)(H,13,14);2*1H
InChIKeyGSRDLTQJRCGIQI-UHFFFAOYSA-N
MW277.15 g/mol
LogP-0.04
Rot. Bonds9

About 3-[2-(2-carboxyethylamino)ethylamino]propanoic acid;dihydrochloride

3-[2-(2-carboxyethylamino)ethylamino]propanoic acid;dihydrochloride (PubChem CID 11437359) has the molecular formula C8H18Cl2N2O4 and a molecular weight of 277.15 g/mol. Its IUPAC name is 3-[2-(2-carboxyethylamino)ethylamino]propanoic acid;dihydrochloride.

Molecular Properties

Compound Name3-[2-(2-carboxyethylamino)ethylamino]propanoic acid;dihydrochloride
PubChem CID11437359
Molecular FormulaC8H18Cl2N2O4
Molecular Weight277.15 g/mol
Exact Mass276.06
IUPAC Name3-[2-(2-carboxyethylamino)ethylamino]propanoic acid;dihydrochloride
SMILESCl.Cl.O=C(O)CCNCCNCCC(=O)O
InChIInChI=1S/C8H16N2O4.2ClH/c11-7(12)1-3-9-5-6-10-4-2-8(13)14;;/h9-10H,1-6H2,(H,11,12)(H,13,14);2*1H
InChIKeyGSRDLTQJRCGIQI-UHFFFAOYSA-N
XLogP-0.04
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 3-[2-(2-carboxyethylamino)ethylamino]propanoic acid;dihydrochloride?
The IUPAC name of 3-[2-(2-carboxyethylamino)ethylamino]propanoic acid;dihydrochloride (CID 11437359) is 3-[2-(2-carboxyethylamino)ethylamino]propanoic acid;dihydrochloride.
What is the SMILES notation for 3-[2-(2-carboxyethylamino)ethylamino]propanoic acid;dihydrochloride?
The canonical SMILES for 3-[2-(2-carboxyethylamino)ethylamino]propanoic acid;dihydrochloride is Cl.Cl.O=C(O)CCNCCNCCC(=O)O.
What is the InChIKey of 3-[2-(2-carboxyethylamino)ethylamino]propanoic acid;dihydrochloride?
The InChIKey is GSRDLTQJRCGIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4.2ClH/c11-7(12)1-3-9-5-6-10-4-2-8(13)14;;/h9-10H,1-6H2,(H,11,12)(H,13,14);2*1H.
What are the key properties of 3-[2-(2-carboxyethylamino)ethylamino]propanoic acid;dihydrochloride?
3-[2-(2-carboxyethylamino)ethylamino]propanoic acid;dihydrochloride has a molecular weight of 277.15 g/mol, XLogP of -0.04, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-carboxyethylamino)ethylamino]propanoic acid;dihydrochloride is sourced from PubChem (CID 11437359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).