2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid

C18H36N4O8 — CID 143929196

IUPAC2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid
SMILESCCCN(CCNCC(=O)O)CC(=O)O.CCCN(CCNCC(=O)O)CC(=O)O
InChIInChI=1S/2C9H18N2O4/c2*1-2-4-11(7-9(14)15)5-3-10-6-8(12)13/h2*10H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyIRUTWJCEADRBRI-UHFFFAOYSA-N
MW436.51 g/mol
LogP-1.09
Rot. Bonds18

About 2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid

2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid (PubChem CID 143929196) has the molecular formula C18H36N4O8 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid
PubChem CID143929196
Molecular FormulaC18H36N4O8
Molecular Weight436.51 g/mol
Exact Mass436.25
IUPAC Name2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid
SMILESCCCN(CCNCC(=O)O)CC(=O)O.CCCN(CCNCC(=O)O)CC(=O)O
InChIInChI=1S/2C9H18N2O4/c2*1-2-4-11(7-9(14)15)5-3-10-6-8(12)13/h2*10H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyIRUTWJCEADRBRI-UHFFFAOYSA-N
XLogP-1.09
TPSA179.74 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 5-1.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-ethylamino]ethyl-propylamino]propanoic acid
CID 130195991
2-[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]ethylamino]acetic acid
CID 89045001
2-[2-[bis(carboxymethyl)amino]ethylamino]acetic acid;copper
CID 155766345
2-[2-[carboxymethyl(2-oxopropyl)amino]ethylamino]acetic acid
CID 89065642
2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2-methylpropyl)amino]ethylamino]acetic acid
CID 163563898
2-[2-[2-[tert-butyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(carboxymethyl)amino]ethylamino]acetic acid
CID 163915904
2-[2-(dipropylamino)ethyl-propylamino]acetic acid
CID 155392910
2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2,2-dihydroxyethyl)amino]ethylamino]acetic acid
CID 163564559
2-[butyl-[2-(butylamino)ethyl]amino]acetic acid
CID 102514170
2-[2-[2-[2-[carboxymethyl(ethyl)amino]ethyl-[2-oxo-2-(propylamino)ethyl]amino]ethyl-(2-oxoethyl)amino]ethylamino]acetic acid
CID 122518440
2-[2-[carboxymethyl-[2-[carboxymethyl-[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]ethyl]amino]ethyl]amino]ethyl-propylamino]acetic acid
CID 118016859
2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(ethylamino)ethyl]amino]ethyl]amino]ethyl-ethylamino]acetic acid
CID 175812978

Frequently Asked Questions

What is the IUPAC name of 2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid?
The IUPAC name of 2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid (CID 143929196) is 2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid?
The canonical SMILES for 2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid is CCCN(CCNCC(=O)O)CC(=O)O.CCCN(CCNCC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid?
The InChIKey is IRUTWJCEADRBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N2O4/c2*1-2-4-11(7-9(14)15)5-3-10-6-8(12)13/h2*10H,2-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid?
2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid has a molecular weight of 436.51 g/mol, XLogP of -1.09, 18 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid is sourced from PubChem (CID 143929196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).