sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;acetate

C12H19N2NaO10 — CID 87075460

IUPACsodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;acetate
SMILESCC(=O)[O-].O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Na+]
InChIInChI=1S/C10H16N2O8.C2H4O2.Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;1-2(3)4;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);1H3,(H,3,4);/q;;+1/p-1
InChIKeyYVZWXMAKQLIEOB-UHFFFAOYSA-M
MW374.28 g/mol
LogP-6.31
Rot. Bonds11

About sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;acetate

sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;acetate (PubChem CID 87075460) has the molecular formula C12H19N2NaO10 and a molecular weight of 374.28 g/mol. Its IUPAC name is sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;acetate.

Molecular Properties

Compound Namesodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;acetate
PubChem CID87075460
Molecular FormulaC12H19N2NaO10
Molecular Weight374.28 g/mol
Exact Mass374.09
IUPAC Namesodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;acetate
SMILESCC(=O)[O-].O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Na+]
InChIInChI=1S/C10H16N2O8.C2H4O2.Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;1-2(3)4;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);1H3,(H,3,4);/q;;+1/p-1
InChIKeyYVZWXMAKQLIEOB-UHFFFAOYSA-M
XLogP-6.31
TPSA195.81 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 5-6.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

trisodium;2-[bis(carboxylatomethyl)amino]acetate;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 175837109
dipotassium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 173100294
disodium;azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 173365071
disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;heptahydrate
CID 173335259
disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;tetrahydrate
CID 18996428
trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;trihydrate
CID 5284392
disodium;azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;trihydrate
CID 172753841
disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;cadmium;hydrate
CID 91886326
azanium;sodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;hydrate
CID 118855692
dicalcium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;chloride
CID 175289098
trisodium;2-[bis[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate;methane
CID 172874974
tetrasodium;acetic acid;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 172825795

Frequently Asked Questions

What is the IUPAC name of sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;acetate?
The IUPAC name of sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;acetate (CID 87075460) is sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;acetate.
What is the SMILES notation for sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;acetate?
The canonical SMILES for sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;acetate is CC(=O)[O-].O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Na+].
What is the InChIKey of sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;acetate?
The InChIKey is YVZWXMAKQLIEOB-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16N2O8.C2H4O2.Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;1-2(3)4;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;acetate?
sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;acetate has a molecular weight of 374.28 g/mol, XLogP of -6.31, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;acetate is sourced from PubChem (CID 87075460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).