disodium;2-[(carboxyamino)methyl-(carboxylatomethyl)amino]acetate

C6H8N2Na2O6 — CID 141044927

IUPACdisodium;2-[(carboxyamino)methyl-(carboxylatomethyl)amino]acetate
SMILESO=C([O-])CN(CNC(=O)O)CC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C6H10N2O6.2Na/c9-4(10)1-8(2-5(11)12)3-7-6(13)14;;/h7H,1-3H2,(H,9,10)(H,11,12)(H,13,14);;/q;2*+1/p-2
InChIKeyWDTPKEPMHUWICM-UHFFFAOYSA-L
MW250.12 g/mol
LogP-9.98
Rot. Bonds6

About disodium;2-[(carboxyamino)methyl-(carboxylatomethyl)amino]acetate

disodium;2-[(carboxyamino)methyl-(carboxylatomethyl)amino]acetate (PubChem CID 141044927) has the molecular formula C6H8N2Na2O6 and a molecular weight of 250.12 g/mol. Its IUPAC name is disodium;2-[(carboxyamino)methyl-(carboxylatomethyl)amino]acetate.

Molecular Properties

Compound Namedisodium;2-[(carboxyamino)methyl-(carboxylatomethyl)amino]acetate
PubChem CID141044927
Molecular FormulaC6H8N2Na2O6
Molecular Weight250.12 g/mol
Exact Mass250.02
IUPAC Namedisodium;2-[(carboxyamino)methyl-(carboxylatomethyl)amino]acetate
SMILESO=C([O-])CN(CNC(=O)O)CC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C6H10N2O6.2Na/c9-4(10)1-8(2-5(11)12)3-7-6(13)14;;/h7H,1-3H2,(H,9,10)(H,11,12)(H,13,14);;/q;2*+1/p-2
InChIKeyWDTPKEPMHUWICM-UHFFFAOYSA-L
XLogP-9.98
TPSA132.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 5-9.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

disodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate
CID 15217912
heptasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 23616700
trimagnesium bis(2-[bis(carboxylatomethyl)amino]acetate)
CID 155804082
tris(barium(2+));bis(2-[bis(carboxylatomethyl)amino]acetate)
CID 172778112
sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;chromium(3+)
CID 11574111
magnesium;sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 21123918
sodium 2-(carboxyamino)acetate
CID 58758121
disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;hydron
CID 18401221
hexasodium;bis(2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate);nickel(2+)
CID 159433382
tetrasodium;acetic acid;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 172825795
sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(3+);trihydrate
CID 71306809
copper;sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;hydrate
CID 178185986

Frequently Asked Questions

What is the IUPAC name of disodium;2-[(carboxyamino)methyl-(carboxylatomethyl)amino]acetate?
The IUPAC name of disodium;2-[(carboxyamino)methyl-(carboxylatomethyl)amino]acetate (CID 141044927) is disodium;2-[(carboxyamino)methyl-(carboxylatomethyl)amino]acetate.
What is the SMILES notation for disodium;2-[(carboxyamino)methyl-(carboxylatomethyl)amino]acetate?
The canonical SMILES for disodium;2-[(carboxyamino)methyl-(carboxylatomethyl)amino]acetate is O=C([O-])CN(CNC(=O)O)CC(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-[(carboxyamino)methyl-(carboxylatomethyl)amino]acetate?
The InChIKey is WDTPKEPMHUWICM-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H10N2O6.2Na/c9-4(10)1-8(2-5(11)12)3-7-6(13)14;;/h7H,1-3H2,(H,9,10)(H,11,12)(H,13,14);;/q;2*+1/p-2.
What are the key properties of disodium;2-[(carboxyamino)methyl-(carboxylatomethyl)amino]acetate?
disodium;2-[(carboxyamino)methyl-(carboxylatomethyl)amino]acetate has a molecular weight of 250.12 g/mol, XLogP of -9.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-[(carboxyamino)methyl-(carboxylatomethyl)amino]acetate is sourced from PubChem (CID 141044927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).