diazanium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dibromide

C10H24Br2N4O8 — CID 172753186

IUPACdiazanium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dibromide
SMILESO=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Br-].[Br-].[NH4+].[NH4+]
InChIInChI=1S/C10H16N2O8.2BrH.2H3N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);2*1H;2*1H3
InChIKeyKQTYXRYSBXZREB-UHFFFAOYSA-N
MW488.13 g/mol
LogP-7.31
Rot. Bonds11

About diazanium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dibromide

diazanium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dibromide (PubChem CID 172753186) has the molecular formula C10H24Br2N4O8 and a molecular weight of 488.13 g/mol. Its IUPAC name is diazanium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dibromide.

Molecular Properties

Compound Namediazanium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dibromide
PubChem CID172753186
Molecular FormulaC10H24Br2N4O8
Molecular Weight488.13 g/mol
Exact Mass486.00
IUPAC Namediazanium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dibromide
SMILESO=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Br-].[Br-].[NH4+].[NH4+]
InChIInChI=1S/C10H16N2O8.2BrH.2H3N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);2*1H;2*1H3
InChIKeyKQTYXRYSBXZREB-UHFFFAOYSA-N
XLogP-7.31
TPSA228.68 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.13
LogP ≤ 5-7.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

CID 131881711
CID 131881711
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;palladium
CID 87646403
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide
CID 118382822
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;chromium(2+)
CID 21278558
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-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;lanthanum(3+)
CID 10230281
Ca-DTPA
CID 86735184
lithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrate
CID 56942126
Pentasodium (carboxymethylimino)bis(ethylene-nitrilo)tetraacetic acid
CID 131710950
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron;manganese
CID 170943983
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;ethene
CID 158664985

Frequently Asked Questions

What is the IUPAC name of diazanium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dibromide?
The IUPAC name of diazanium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dibromide (CID 172753186) is diazanium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dibromide.
What is the SMILES notation for diazanium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dibromide?
The canonical SMILES for diazanium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dibromide is O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Br-].[Br-].[NH4+].[NH4+].
What is the InChIKey of diazanium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dibromide?
The InChIKey is KQTYXRYSBXZREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O8.2BrH.2H3N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);2*1H;2*1H3.
What are the key properties of diazanium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dibromide?
diazanium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dibromide has a molecular weight of 488.13 g/mol, XLogP of -7.31, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dibromide is sourced from PubChem (CID 172753186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).