azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide

C10H21N3O10 — CID 118382822

IUPACazane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide
SMILESN.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.OO
InChIInChI=1S/C10H16N2O8.H3N.H2O2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;1-2/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);1H3;1-2H
InChIKeySDXFBYGLBOKBPH-UHFFFAOYSA-N
MW343.29 g/mol
LogP-1.89
Rot. Bonds11

About azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide

azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide (PubChem CID 118382822) has the molecular formula C10H21N3O10 and a molecular weight of 343.29 g/mol. Its IUPAC name is azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide.

Molecular Properties

Compound Nameazane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide
PubChem CID118382822
Molecular FormulaC10H21N3O10
Molecular Weight343.29 g/mol
Exact Mass343.12
IUPAC Nameazane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide
SMILESN.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.OO
InChIInChI=1S/C10H16N2O8.H3N.H2O2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;1-2/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);1H3;1-2H
InChIKeySDXFBYGLBOKBPH-UHFFFAOYSA-N
XLogP-1.89
TPSA231.14 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.29
LogP ≤ 5-1.89
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbonic acid
CID 173083279
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrate
CID 173118164
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;platinum(4+)
CID 73213829
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ruthenium
CID 173217392
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;yttrium(3+)
CID 23618997
dilithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 10149598
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;chromium(2+)
CID 21278558
CID 131881711
CID 131881711
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;palladium
CID 87646403
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;lanthanum(3+)
CID 10230281
Ca-DTPA
CID 86735184
diazanium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dibromide
CID 172753186

Frequently Asked Questions

What is the IUPAC name of azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide?
The IUPAC name of azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide (CID 118382822) is azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide.
What is the SMILES notation for azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide?
The canonical SMILES for azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide is N.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.OO.
What is the InChIKey of azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide?
The InChIKey is SDXFBYGLBOKBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O8.H3N.H2O2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;1-2/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);1H3;1-2H.
What are the key properties of azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide?
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide has a molecular weight of 343.29 g/mol, XLogP of -1.89, 11 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide is sourced from PubChem (CID 118382822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).