tetrasodium;2-[[2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate

C14H18N2Na4O8 — CID 10455576

IUPACtetrasodium;2-[[2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate
SMILESO=C([O-])CN(CC(=O)[O-])C1CCCCC1N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C14H22N2O8.4Na/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24;;;;/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;;;/q;4*+1/p-4
InChIKeyUDUZEOZILGKVEW-UHFFFAOYSA-J
MW434.26 g/mol
LogP-18.08
Rot. Bonds10

About tetrasodium;2-[[2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate

tetrasodium;2-[[2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate (PubChem CID 10455576) has the molecular formula C14H18N2Na4O8 and a molecular weight of 434.26 g/mol. Its IUPAC name is tetrasodium;2-[[2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate.

Molecular Properties

Compound Nametetrasodium;2-[[2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate
PubChem CID10455576
Molecular FormulaC14H18N2Na4O8
Molecular Weight434.26 g/mol
Exact Mass434.07
IUPAC Nametetrasodium;2-[[2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate
SMILESO=C([O-])CN(CC(=O)[O-])C1CCCCC1N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C14H22N2O8.4Na/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24;;;;/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;;;/q;4*+1/p-4
InChIKeyUDUZEOZILGKVEW-UHFFFAOYSA-J
XLogP-18.08
TPSA167.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.26
LogP ≤ 5-18.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[[(1R,2R)-2-[[2-[2-[[2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetyl]amino]ethylamino]-2-oxoethyl]-(carboxymethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate
CID 163761702
2-[[2-(2-aminoethylamino)-2-oxoethyl]-[(1R,2R)-2-[bis(carboxylatomethyl)amino]cyclohexyl]amino]acetate;iron(3+);hydrate
CID 167666635
2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid;hydrate
CID 2723844
2-[[(1R,2R)-2-[bis(carboxylatomethyl)amino]cyclohexyl]-[2-[[4-[[2-[[(1R,2R)-2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]acetate;2-[[(1R,2R)-2-[bis(carboxylatomethyl)amino]cyclohexyl]-[2-[2-[[2-[[(1R,2R)-2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetyl]amino]ethylamino]-2-oxoethyl]amino]acetate;tetrakis(iron(3+));tetrahydrate
CID 167699743
2-[[2-[bis(hydroperoxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid
CID 23594176
3-[[2-[bis(2-carboxyethyl)amino]cyclohexyl]-(2-carboxyethyl)amino]propanoic acid
CID 19806436
tert-butyl 2-[[(1S,2S)-2-[[(1S,2S)-2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 54539679
2-[[(1R,2R)-2-[bis[2-(2-hydroxyethylamino)-2-oxoethyl]amino]cyclohexyl]-(carboxymethyl)amino]acetic acid
CID 22853584
2-[carboxymethyl-[2-[2,2-dimethylpropyl(ethyl)amino]cyclohexyl]amino]acetic acid
CID 58038728
1-[[2-[bis(2-oxopropyl)amino]cyclohexyl]-[2-[bis(2-oxopropyl)amino]propyl]amino]propan-2-one
CID 59227289
2-[2-[[(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]ethyl-(2-oxoethyl)amino]acetic acid
CID 166074882
sodium 3-cyclopentylpropanoate
CID 162201470

Frequently Asked Questions

What is the IUPAC name of tetrasodium;2-[[2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate?
The IUPAC name of tetrasodium;2-[[2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate (CID 10455576) is tetrasodium;2-[[2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate.
What is the SMILES notation for tetrasodium;2-[[2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate?
The canonical SMILES for tetrasodium;2-[[2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate is O=C([O-])CN(CC(=O)[O-])C1CCCCC1N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;2-[[2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate?
The InChIKey is UDUZEOZILGKVEW-UHFFFAOYSA-J. The full InChI is InChI=1S/C14H22N2O8.4Na/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24;;;;/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;;;/q;4*+1/p-4.
What are the key properties of tetrasodium;2-[[2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate?
tetrasodium;2-[[2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate has a molecular weight of 434.26 g/mol, XLogP of -18.08, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;2-[[2-[bis(carboxylatomethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate is sourced from PubChem (CID 10455576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).