disodium;2-[carboxylatomethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate

C9H13N3Na2O5 — CID 164526661

IUPACdisodium;2-[carboxylatomethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate
SMILESO=C([O-])CN(CCN1CCNC1=O)CC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C9H15N3O5.2Na/c13-7(14)5-11(6-8(15)16)3-4-12-2-1-10-9(12)17;;/h1-6H2,(H,10,17)(H,13,14)(H,15,16);;/q;2*+1/p-2
InChIKeyMXYMXPMJHXVVDD-UHFFFAOYSA-L
MW289.20 g/mol
LogP-10.18
Rot. Bonds7

About disodium;2-[carboxylatomethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate

disodium;2-[carboxylatomethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate (PubChem CID 164526661) has the molecular formula C9H13N3Na2O5 and a molecular weight of 289.20 g/mol. Its IUPAC name is disodium;2-[carboxylatomethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate.

Molecular Properties

Compound Namedisodium;2-[carboxylatomethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate
PubChem CID164526661
Molecular FormulaC9H13N3Na2O5
Molecular Weight289.20 g/mol
Exact Mass289.07
IUPAC Namedisodium;2-[carboxylatomethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate
SMILESO=C([O-])CN(CCN1CCNC1=O)CC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C9H15N3O5.2Na/c13-7(14)5-11(6-8(15)16)3-4-12-2-1-10-9(12)17;;/h1-6H2,(H,10,17)(H,13,14)(H,15,16);;/q;2*+1/p-2
InChIKeyMXYMXPMJHXVVDD-UHFFFAOYSA-L
XLogP-10.18
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 5-10.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-oxoimidazolidin-1-yl)acetic Acid
CID 1133461
2-[(2R)-2-(aminomethyl)-2-hydroxy-4,5-dioxoimidazolidin-1-yl]acetic acid
CID 131704182
Methyl 2-(2-oxoimidazolidin-1-yl)acetate
CID 84075258
2-[(2-Oxoimidazolidinyl)carbonylamino]acetic acid
CID 1285965
Dioxoimidazolidine-3-acetate
CID 2512551
Dioxoimidazolidine-1-acetate
CID 7219893
2-(13-Oxo-1,4,7,10-tetrazabicyclo[8.2.1]tridecan-4-yl)acetic acid
CID 18324161
Imidazolidine-1,2-dicarboxylic acid
CID 20264964
Sodium 2,2-dimethyl-5-oxo-1-imidazolidineacetate
CID 23686064
Sodium 2-[1-(2-hydroxyethyl)-2-oxoimidazolidin-1-ium-1-yl]acetate
CID 59866608
Disodium;2-[4-(carboxylatomethyl)-3,8-dioxo-1,4,6,9-tetrazaspiro[4.4]nonan-9-yl]acetate
CID 60086958
Trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;imidazolidine-2,4-dione
CID 67749704

Frequently Asked Questions

What is the IUPAC name of disodium;2-[carboxylatomethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate?
The IUPAC name of disodium;2-[carboxylatomethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate (CID 164526661) is disodium;2-[carboxylatomethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate.
What is the SMILES notation for disodium;2-[carboxylatomethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate?
The canonical SMILES for disodium;2-[carboxylatomethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate is O=C([O-])CN(CCN1CCNC1=O)CC(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-[carboxylatomethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate?
The InChIKey is MXYMXPMJHXVVDD-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H15N3O5.2Na/c13-7(14)5-11(6-8(15)16)3-4-12-2-1-10-9(12)17;;/h1-6H2,(H,10,17)(H,13,14)(H,15,16);;/q;2*+1/p-2.
What are the key properties of disodium;2-[carboxylatomethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate?
disodium;2-[carboxylatomethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate has a molecular weight of 289.20 g/mol, XLogP of -10.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-[carboxylatomethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate is sourced from PubChem (CID 164526661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).