sodium;2-[2-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;samarium(3+)

C11H14N2NaO8Sm — CID 72992136

IUPACsodium;2-[2-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;samarium(3+)
SMILESCC(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Sm+3]
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;+3/p-4
InChIKeyLASJBCFMJJSNAT-UHFFFAOYSA-J
MW475.59 g/mol
LogP-10.02
Rot. Bonds11

About sodium;2-[2-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;samarium(3+)

sodium;2-[2-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;samarium(3+) (PubChem CID 72992136) has the molecular formula C11H14N2NaO8Sm and a molecular weight of 475.59 g/mol. Its IUPAC name is sodium;2-[2-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;samarium(3+).

Molecular Properties

Compound Namesodium;2-[2-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;samarium(3+)
PubChem CID72992136
Molecular FormulaC11H14N2NaO8Sm
Molecular Weight475.59 g/mol
Exact Mass476.98
IUPAC Namesodium;2-[2-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;samarium(3+)
SMILESCC(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Sm+3]
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;+3/p-4
InChIKeyLASJBCFMJJSNAT-UHFFFAOYSA-J
XLogP-10.02
TPSA167.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 5-10.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze sodium;2-[2-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;samarium(3+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;2-[[(2S)-1-[bis(carboxymethyl)amino]propan-2-yl]-(carboxymethyl)amino]acetate;samarium
CID 164512797
sodium 2-[bis(2-hydroxypropyl)amino]acetate
CID 23683241
disodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate
CID 22151994
trisodium;2-[bis(carboxylatomethyl)amino]propanoate;hydrate
CID 70699979
2-[2-[[1-[bis(carboxylatomethyl)amino]-3,3-dimethylbutan-2-yl]-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 21299850
2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;dichlororuthenium;hydrate
CID 50897255
disodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate
CID 15217912
heptasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 23616700
trimagnesium bis(2-[bis(carboxylatomethyl)amino]acetate)
CID 155804082
tris(barium(2+));bis(2-[bis(carboxylatomethyl)amino]acetate)
CID 172778112
2-[bis(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid
CID 88598143
magnesium;sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 21123918

Frequently Asked Questions

What is the IUPAC name of sodium;2-[2-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;samarium(3+)?
The IUPAC name of sodium;2-[2-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;samarium(3+) (CID 72992136) is sodium;2-[2-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;samarium(3+).
What is the SMILES notation for sodium;2-[2-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;samarium(3+)?
The canonical SMILES for sodium;2-[2-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;samarium(3+) is CC(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Sm+3].
What is the InChIKey of sodium;2-[2-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;samarium(3+)?
The InChIKey is LASJBCFMJJSNAT-UHFFFAOYSA-J. 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;+3/p-4.
What are the key properties of sodium;2-[2-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;samarium(3+)?
sodium;2-[2-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;samarium(3+) has a molecular weight of 475.59 g/mol, XLogP of -10.02, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[2-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;samarium(3+) is sourced from PubChem (CID 72992136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).