sodium;2-[[(2S)-1-[bis(carboxymethyl)amino]propan-2-yl]-(carboxymethyl)amino]acetate;samarium

C11H17N2NaO8Sm — CID 164512797

IUPACsodium;2-[[(2S)-1-[bis(carboxymethyl)amino]propan-2-yl]-(carboxymethyl)amino]acetate;samarium
SMILESC[C@@H](CN(CC(=O)O)CC(=O)O)N(CC(=O)[O-])CC(=O)O.[Na+].[Sm]
InChIInChI=1S/C11H18N2O8.Na.Sm/c1-7(13(5-10(18)19)6-11(20)21)2-12(3-8(14)15)4-9(16)17;;/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H,20,21);;/q;+1;/p-1/t7-;;/m0../s1
InChIKeyUEVXASOSPBZNHF-KLXURFKVSA-M
MW478.61 g/mol
LogP-6.01
Rot. Bonds11

About sodium;2-[[(2S)-1-[bis(carboxymethyl)amino]propan-2-yl]-(carboxymethyl)amino]acetate;samarium

sodium;2-[[(2S)-1-[bis(carboxymethyl)amino]propan-2-yl]-(carboxymethyl)amino]acetate;samarium (PubChem CID 164512797) has the molecular formula C11H17N2NaO8Sm and a molecular weight of 478.61 g/mol. Its IUPAC name is sodium;2-[[(2S)-1-[bis(carboxymethyl)amino]propan-2-yl]-(carboxymethyl)amino]acetate;samarium.

Molecular Properties

Compound Namesodium;2-[[(2S)-1-[bis(carboxymethyl)amino]propan-2-yl]-(carboxymethyl)amino]acetate;samarium
PubChem CID164512797
Molecular FormulaC11H17N2NaO8Sm
Molecular Weight478.61 g/mol
Exact Mass480.01
IUPAC Namesodium;2-[[(2S)-1-[bis(carboxymethyl)amino]propan-2-yl]-(carboxymethyl)amino]acetate;samarium
SMILESC[C@@H](CN(CC(=O)O)CC(=O)O)N(CC(=O)[O-])CC(=O)O.[Na+].[Sm]
InChIInChI=1S/C11H18N2O8.Na.Sm/c1-7(13(5-10(18)19)6-11(20)21)2-12(3-8(14)15)4-9(16)17;;/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H,20,21);;/q;+1;/p-1/t7-;;/m0../s1
InChIKeyUEVXASOSPBZNHF-KLXURFKVSA-M
XLogP-6.01
TPSA158.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 5-6.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze sodium;2-[[(2S)-1-[bis(carboxymethyl)amino]propan-2-yl]-(carboxymethyl)amino]acetate;samarium with MolForge

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Related Compounds

sodium;2-[2-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;samarium(3+)
CID 72992136
2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;dichlororuthenium;hydrate
CID 50897255
2-[bis(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid
CID 88598143
disodium;2-[[1-[[2-[carboxylatomethyl(carboxymethyl)amino]-3-hydroxypropyl]-(carboxymethyl)amino]-3-hydroxypropan-2-yl]-(carboxymethyl)amino]acetate
CID 139779911
2-[bis(carboxymethyl)amino]acetate;2-[carboxylatomethyl(carboxymethyl)amino]acetate;gadolinium(2+);hydrate
CID 6394562
sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;acetate
CID 87075460
disodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate
CID 22151994
sodium 2-[(3-butoxy-2-hydroxypropyl)-(carboxymethyl)amino]acetate
CID 56842597
trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;trihydrate
CID 5284392
dipotassium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 173100294
trisodium;2-[bis(carboxylatomethyl)amino]acetate;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 175837109
disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;heptahydrate
CID 173335259

Frequently Asked Questions

What is the IUPAC name of sodium;2-[[(2S)-1-[bis(carboxymethyl)amino]propan-2-yl]-(carboxymethyl)amino]acetate;samarium?
The IUPAC name of sodium;2-[[(2S)-1-[bis(carboxymethyl)amino]propan-2-yl]-(carboxymethyl)amino]acetate;samarium (CID 164512797) is sodium;2-[[(2S)-1-[bis(carboxymethyl)amino]propan-2-yl]-(carboxymethyl)amino]acetate;samarium.
What is the SMILES notation for sodium;2-[[(2S)-1-[bis(carboxymethyl)amino]propan-2-yl]-(carboxymethyl)amino]acetate;samarium?
The canonical SMILES for sodium;2-[[(2S)-1-[bis(carboxymethyl)amino]propan-2-yl]-(carboxymethyl)amino]acetate;samarium is C[C@@H](CN(CC(=O)O)CC(=O)O)N(CC(=O)[O-])CC(=O)O.[Na+].[Sm].
What is the InChIKey of sodium;2-[[(2S)-1-[bis(carboxymethyl)amino]propan-2-yl]-(carboxymethyl)amino]acetate;samarium?
The InChIKey is UEVXASOSPBZNHF-KLXURFKVSA-M. The full InChI is InChI=1S/C11H18N2O8.Na.Sm/c1-7(13(5-10(18)19)6-11(20)21)2-12(3-8(14)15)4-9(16)17;;/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H,20,21);;/q;+1;/p-1/t7-;;/m0../s1.
What are the key properties of sodium;2-[[(2S)-1-[bis(carboxymethyl)amino]propan-2-yl]-(carboxymethyl)amino]acetate;samarium?
sodium;2-[[(2S)-1-[bis(carboxymethyl)amino]propan-2-yl]-(carboxymethyl)amino]acetate;samarium has a molecular weight of 478.61 g/mol, XLogP of -6.01, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[[(2S)-1-[bis(carboxymethyl)amino]propan-2-yl]-(carboxymethyl)amino]acetate;samarium is sourced from PubChem (CID 164512797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).