diazanium;2-(carboxylatomethylamino)acetate

C4H13N3O4 — CID 18769481

IUPACdiazanium;2-(carboxylatomethylamino)acetate
SMILESO=C([O-])CNCC(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/C4H7NO4.2H3N/c6-3(7)1-5-2-4(8)9;;/h5H,1-2H2,(H,6,7)(H,8,9);2*1H3
InChIKeyOEDPMSDASHAOCT-UHFFFAOYSA-N
MW167.16 g/mol
LogP-3.17
Rot. Bonds4

About diazanium;2-(carboxylatomethylamino)acetate

diazanium;2-(carboxylatomethylamino)acetate (PubChem CID 18769481) has the molecular formula C4H13N3O4 and a molecular weight of 167.16 g/mol. Its IUPAC name is diazanium;2-(carboxylatomethylamino)acetate.

Molecular Properties

Compound Namediazanium;2-(carboxylatomethylamino)acetate
PubChem CID18769481
Molecular FormulaC4H13N3O4
Molecular Weight167.16 g/mol
Exact Mass167.09
IUPAC Namediazanium;2-(carboxylatomethylamino)acetate
SMILESO=C([O-])CNCC(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/C4H7NO4.2H3N/c6-3(7)1-5-2-4(8)9;;/h5H,1-2H2,(H,6,7)(H,8,9);2*1H3
InChIKeyOEDPMSDASHAOCT-UHFFFAOYSA-N
XLogP-3.17
TPSA165.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 5-3.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tetrasodium bis(2-(carboxylatomethylamino)acetate)
CID 141397482
tetrasodium;tetrakis(2-(carboxymethylamino)acetate)
CID 141289708
lead(2+);bis(2-(2-oxopropylamino)acetate)
CID 87752603
sodium 2-(2-hydroxyethylamino)acetate
CID 23668304
disodium bis(2-(2-aminoethylamino)acetate)
CID 173036397
calcium bis(2-(phosphonomethylamino)acetate)
CID 139601008
sodium;2-(2-aminoethylamino)acetate;tris(ethane-1,2-diamine)
CID 23701740
disodium;2-(carboxymethylamino)acetate;2-(2,2-dihydroxyethylamino)acetate
CID 158196840
azanium;iron(3+);bis(propanedioate)
CID 160868163
azanium;lithium;butanedioate
CID 18352245
sodium 2-(2-oxopentadecylamino)acetate
CID 87777451
dipotassium bis(2-(methylamino)acetate)
CID 139682425

Frequently Asked Questions

What is the IUPAC name of diazanium;2-(carboxylatomethylamino)acetate?
The IUPAC name of diazanium;2-(carboxylatomethylamino)acetate (CID 18769481) is diazanium;2-(carboxylatomethylamino)acetate.
What is the SMILES notation for diazanium;2-(carboxylatomethylamino)acetate?
The canonical SMILES for diazanium;2-(carboxylatomethylamino)acetate is O=C([O-])CNCC(=O)[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium;2-(carboxylatomethylamino)acetate?
The InChIKey is OEDPMSDASHAOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4.2H3N/c6-3(7)1-5-2-4(8)9;;/h5H,1-2H2,(H,6,7)(H,8,9);2*1H3.
What are the key properties of diazanium;2-(carboxylatomethylamino)acetate?
diazanium;2-(carboxylatomethylamino)acetate has a molecular weight of 167.16 g/mol, XLogP of -3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;2-(carboxylatomethylamino)acetate is sourced from PubChem (CID 18769481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).