disodium;2-(carboxymethylamino)acetate;2-(2,2-dihydroxyethylamino)acetate

C8H14N2Na2O8 — CID 158196840

IUPACdisodium;2-(carboxymethylamino)acetate;2-(2,2-dihydroxyethylamino)acetate
SMILESO=C([O-])CNCC(=O)O.O=C([O-])CNCC(O)O.[Na+].[Na+]
InChIInChI=1S/C4H9NO4.C4H7NO4.2Na/c2*6-3(7)1-5-2-4(8)9;;/h3,5-7H,1-2H2,(H,8,9);5H,1-2H2,(H,6,7)(H,8,9);;/q;;2*+1/p-2
InChIKeyDRABWCJCILYTNK-UHFFFAOYSA-L
MW312.19 g/mol
LogP-11.94
Rot. Bonds8

About disodium;2-(carboxymethylamino)acetate;2-(2,2-dihydroxyethylamino)acetate

disodium;2-(carboxymethylamino)acetate;2-(2,2-dihydroxyethylamino)acetate (PubChem CID 158196840) has the molecular formula C8H14N2Na2O8 and a molecular weight of 312.19 g/mol. Its IUPAC name is disodium;2-(carboxymethylamino)acetate;2-(2,2-dihydroxyethylamino)acetate.

Molecular Properties

Compound Namedisodium;2-(carboxymethylamino)acetate;2-(2,2-dihydroxyethylamino)acetate
PubChem CID158196840
Molecular FormulaC8H14N2Na2O8
Molecular Weight312.19 g/mol
Exact Mass312.05
IUPAC Namedisodium;2-(carboxymethylamino)acetate;2-(2,2-dihydroxyethylamino)acetate
SMILESO=C([O-])CNCC(=O)O.O=C([O-])CNCC(O)O.[Na+].[Na+]
InChIInChI=1S/C4H9NO4.C4H7NO4.2Na/c2*6-3(7)1-5-2-4(8)9;;/h3,5-7H,1-2H2,(H,8,9);5H,1-2H2,(H,6,7)(H,8,9);;/q;;2*+1/p-2
InChIKeyDRABWCJCILYTNK-UHFFFAOYSA-L
XLogP-11.94
TPSA182.08 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 5-11.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

tetrasodium;tetrakis(2-(carboxymethylamino)acetate)
CID 141289708
acetic acid;2-(2,2-dihydroxyethylamino)acetic acid
CID 175208763
tetrasodium bis(2-(carboxylatomethylamino)acetate)
CID 141397482
diazanium;2-(carboxylatomethylamino)acetate
CID 18769481
sodium;2-(carboxymethylamino)acetic acid;hydride
CID 173003718
2-(carboxymethylamino)acetic acid
CID 8897
trisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate
CID 174463163
2-(carboxymethylamino)acetic acid;cobalt
CID 87306494
2-[(2,2-dihydroxyethylamino)methyl]prop-2-enoic acid
CID 56997696
2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetic acid
CID 63296306
sodium 2-[[2-(2-hydroxypropoxy)-2-oxoethyl]amino]acetate
CID 140993572
2,3-bis(carboxymethylamino)propanoic acid
CID 10922022

Frequently Asked Questions

What is the IUPAC name of disodium;2-(carboxymethylamino)acetate;2-(2,2-dihydroxyethylamino)acetate?
The IUPAC name of disodium;2-(carboxymethylamino)acetate;2-(2,2-dihydroxyethylamino)acetate (CID 158196840) is disodium;2-(carboxymethylamino)acetate;2-(2,2-dihydroxyethylamino)acetate.
What is the SMILES notation for disodium;2-(carboxymethylamino)acetate;2-(2,2-dihydroxyethylamino)acetate?
The canonical SMILES for disodium;2-(carboxymethylamino)acetate;2-(2,2-dihydroxyethylamino)acetate is O=C([O-])CNCC(=O)O.O=C([O-])CNCC(O)O.[Na+].[Na+].
What is the InChIKey of disodium;2-(carboxymethylamino)acetate;2-(2,2-dihydroxyethylamino)acetate?
The InChIKey is DRABWCJCILYTNK-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H9NO4.C4H7NO4.2Na/c2*6-3(7)1-5-2-4(8)9;;/h3,5-7H,1-2H2,(H,8,9);5H,1-2H2,(H,6,7)(H,8,9);;/q;;2*+1/p-2.
What are the key properties of disodium;2-(carboxymethylamino)acetate;2-(2,2-dihydroxyethylamino)acetate?
disodium;2-(carboxymethylamino)acetate;2-(2,2-dihydroxyethylamino)acetate has a molecular weight of 312.19 g/mol, XLogP of -11.94, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-(carboxymethylamino)acetate;2-(2,2-dihydroxyethylamino)acetate is sourced from PubChem (CID 158196840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).