2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxycyclohexyl]-methylamino]acetic acid;2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxyhexyl]-methylamino]acetic acid;tris(ytterbium(2+))

C30H56N6O18Yb3+6 — CID 140673683

IUPAC2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxycyclohexyl]-methylamino]acetic acid;2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxyhexyl]-methylamino]acetic acid;tris(ytterbium(2+))
SMILESCN(CC(=O)O)C1C(O)C(N(C)CC(=O)O)C(O)C(N(C)CC(=O)O)C1O.CN(CC(=O)O)CC(O)C(C(O)C(CO)N(C)CC(=O)O)N(C)CC(=O)O.[Yb+2].[Yb+2].[Yb+2]
InChIInChI=1S/C15H27N3O9.C15H29N3O9.3Yb/c1-16(4-7(19)20)10-13(25)11(17(2)5-8(21)22)15(27)12(14(10)26)18(3)6-9(23)24;1-16(5-11(21)22)4-10(20)14(18(3)7-13(25)26)15(27)9(8-19)17(2)6-12(23)24;;;/h10-15,25-27H,4-6H2,1-3H3,(H,19,20)(H,21,22)(H,23,24);9-10,14-15,19-20,27H,4-8H2,1-3H3,(H,21,22)(H,23,24)(H,25,26);;;/q;;3*+2
InChIKeyPRYABEDQWDECCI-UHFFFAOYSA-N
MW1307.92 g/mol
LogP-7.28
Rot. Bonds23

About 2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxycyclohexyl]-methylamino]acetic acid;2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxyhexyl]-methylamino]acetic acid;tris(ytterbium(2+))

2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxycyclohexyl]-methylamino]acetic acid;2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxyhexyl]-methylamino]acetic acid;tris(ytterbium(2+)) (PubChem CID 140673683) has the molecular formula C30H56N6O18Yb3+6 and a molecular weight of 1307.92 g/mol. Its IUPAC name is 2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxycyclohexyl]-methylamino]acetic acid;2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxyhexyl]-methylamino]acetic acid;tris(ytterbium(2+)).

Molecular Properties

Compound Name2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxycyclohexyl]-methylamino]acetic acid;2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxyhexyl]-methylamino]acetic acid;tris(ytterbium(2+))
PubChem CID140673683
Molecular FormulaC30H56N6O18Yb3+6
Molecular Weight1307.92 g/mol
Exact Mass1310.18
IUPAC Name2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxycyclohexyl]-methylamino]acetic acid;2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxyhexyl]-methylamino]acetic acid;tris(ytterbium(2+))
SMILESCN(CC(=O)O)C1C(O)C(N(C)CC(=O)O)C(O)C(N(C)CC(=O)O)C1O.CN(CC(=O)O)CC(O)C(C(O)C(CO)N(C)CC(=O)O)N(C)CC(=O)O.[Yb+2].[Yb+2].[Yb+2]
InChIInChI=1S/C15H27N3O9.C15H29N3O9.3Yb/c1-16(4-7(19)20)10-13(25)11(17(2)5-8(21)22)15(27)12(14(10)26)18(3)6-9(23)24;1-16(5-11(21)22)4-10(20)14(18(3)7-13(25)26)15(27)9(8-19)17(2)6-12(23)24;;;/h10-15,25-27H,4-6H2,1-3H3,(H,19,20)(H,21,22)(H,23,24);9-10,14-15,19-20,27H,4-8H2,1-3H3,(H,21,22)(H,23,24)(H,25,26);;;/q;;3*+2
InChIKeyPRYABEDQWDECCI-UHFFFAOYSA-N
XLogP-7.28
TPSA364.62 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001307.92
LogP ≤ 5-7.28
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Analyze 2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxycyclohexyl]-methylamino]acetic acid;2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxyhexyl]-methylamino]acetic acid;tris(ytterbium(2+)) with MolForge

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Related Compounds

bis(2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxycyclohexyl]-methylamino]acetic acid);erbium;methane
CID 162270387
2-[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]acetic acid
CID 63989472
2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 63900475
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid
CID 106991340
2-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]-methylamino]acetic acid
CID 82216044
2-[methyl(2-methylpentan-3-yl)amino]acetic acid
CID 65056587
2-[[(2R)-2,5-dihydroxyheptyl]-methylamino]acetic acid
CID 175832916
2-[carboxymethyl(2,3,4,5,6-pentahydroxyhexyl)amino]acetic acid
CID 4083060
2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]-methylamino]acetic acid
CID 82217025
2-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]acetic acid
CID 103371484
azanium 2-[methyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxynonyl)amino]acetic acid
CID 102295547
ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid
CID 164543067

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxycyclohexyl]-methylamino]acetic acid;2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxyhexyl]-methylamino]acetic acid;tris(ytterbium(2+))?
The IUPAC name of 2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxycyclohexyl]-methylamino]acetic acid;2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxyhexyl]-methylamino]acetic acid;tris(ytterbium(2+)) (CID 140673683) is 2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxycyclohexyl]-methylamino]acetic acid;2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxyhexyl]-methylamino]acetic acid;tris(ytterbium(2+)).
What is the SMILES notation for 2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxycyclohexyl]-methylamino]acetic acid;2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxyhexyl]-methylamino]acetic acid;tris(ytterbium(2+))?
The canonical SMILES for 2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxycyclohexyl]-methylamino]acetic acid;2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxyhexyl]-methylamino]acetic acid;tris(ytterbium(2+)) is CN(CC(=O)O)C1C(O)C(N(C)CC(=O)O)C(O)C(N(C)CC(=O)O)C1O.CN(CC(=O)O)CC(O)C(C(O)C(CO)N(C)CC(=O)O)N(C)CC(=O)O.[Yb+2].[Yb+2].[Yb+2].
What is the InChIKey of 2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxycyclohexyl]-methylamino]acetic acid;2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxyhexyl]-methylamino]acetic acid;tris(ytterbium(2+))?
The InChIKey is PRYABEDQWDECCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O9.C15H29N3O9.3Yb/c1-16(4-7(19)20)10-13(25)11(17(2)5-8(21)22)15(27)12(14(10)26)18(3)6-9(23)24;1-16(5-11(21)22)4-10(20)14(18(3)7-13(25)26)15(27)9(8-19)17(2)6-12(23)24;;;/h10-15,25-27H,4-6H2,1-3H3,(H,19,20)(H,21,22)(H,23,24);9-10,14-15,19-20,27H,4-8H2,1-3H3,(H,21,22)(H,23,24)(H,25,26);;;/q;;3*+2.
What are the key properties of 2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxycyclohexyl]-methylamino]acetic acid;2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxyhexyl]-methylamino]acetic acid;tris(ytterbium(2+))?
2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxycyclohexyl]-methylamino]acetic acid;2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxyhexyl]-methylamino]acetic acid;tris(ytterbium(2+)) has a molecular weight of 1307.92 g/mol, XLogP of -7.28, 23 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxycyclohexyl]-methylamino]acetic acid;2-[[3,5-bis[carboxymethyl(methyl)amino]-2,4,6-trihydroxyhexyl]-methylamino]acetic acid;tris(ytterbium(2+)) is sourced from PubChem (CID 140673683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).