2-[[4-[bis(carboxymethyl)amino]-6-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-[[4-[bis(carboxymethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid;pentanedioic acid;2,4,6-trichloro-1,3,5-triazine;tridecakis(yttrium)

C39H47Cl4N15O28Y13 — CID 159567815

IUPAC2-[[4-[bis(carboxymethyl)amino]-6-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-[[4-[bis(carboxymethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid;pentanedioic acid;2,4,6-trichloro-1,3,5-triazine;tridecakis(yttrium)
SMILESCOC(=O)CN(CC(=O)O)c1nc(N(CC(=O)O)CC(=O)O)nc(N(CC(=O)O)CC(=O)O)n1.Clc1nc(Cl)nc(Cl)n1.O=C(O)CCCC(=O)O.O=C(O)CN(CC(=O)O)c1nc(Cl)nc(N(CC(=O)O)CC(=O)O)n1.O=C(O)CNCC(=O)O.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C16H20N6O12.C11H12ClN5O8.C5H8O4.C4H7NO4.C3Cl3N3.13Y/c1-34-13(33)7-22(6-12(31)32)16-18-14(20(2-8(23)24)3-9(25)26)17-15(19-16)21(4-10(27)28)5-11(29)30;12-9-13-10(16(1-5(18)19)2-6(20)21)15-11(14-9)17(3-7(22)23)4-8(24)25;6-4(7)2-1-3-5(8)9;6-3(7)1-5-2-4(8)9;4-1-7-2(5)9-3(6)8-1;;;;;;;;;;;;;/h2-7H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32);1-4H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25);1-3H2,(H,6,7)(H,8,9);5H,1-2H2,(H,6,7)(H,8,9);;;;;;;;;;;;;;
InChIKeyLJOKZVRXCFFPCC-UHFFFAOYSA-N
MW2471.47 g/mol
LogP-3.77
Rot. Bonds33

About 2-[[4-[bis(carboxymethyl)amino]-6-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-[[4-[bis(carboxymethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid;pentanedioic acid;2,4,6-trichloro-1,3,5-triazine;tridecakis(yttrium)

2-[[4-[bis(carboxymethyl)amino]-6-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-[[4-[bis(carboxymethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid;pentanedioic acid;2,4,6-trichloro-1,3,5-triazine;tridecakis(yttrium) (PubChem CID 159567815) has the molecular formula C39H47Cl4N15O28Y13 and a molecular weight of 2471.47 g/mol. Its IUPAC name is 2-[[4-[bis(carboxymethyl)amino]-6-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-[[4-[bis(carboxymethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid;pentanedioic acid;2,4,6-trichloro-1,3,5-triazine;tridecakis(yttrium).

Molecular Properties

Compound Name2-[[4-[bis(carboxymethyl)amino]-6-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-[[4-[bis(carboxymethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid;pentanedioic acid;2,4,6-trichloro-1,3,5-triazine;tridecakis(yttrium)
PubChem CID159567815
Molecular FormulaC39H47Cl4N15O28Y13
Molecular Weight2471.47 g/mol
Exact Mass2468.92
IUPAC Name2-[[4-[bis(carboxymethyl)amino]-6-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-[[4-[bis(carboxymethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid;pentanedioic acid;2,4,6-trichloro-1,3,5-triazine;tridecakis(yttrium)
SMILESCOC(=O)CN(CC(=O)O)c1nc(N(CC(=O)O)CC(=O)O)nc(N(CC(=O)O)CC(=O)O)n1.Clc1nc(Cl)nc(Cl)n1.O=C(O)CCCC(=O)O.O=C(O)CN(CC(=O)O)c1nc(Cl)nc(N(CC(=O)O)CC(=O)O)n1.O=C(O)CNCC(=O)O.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C16H20N6O12.C11H12ClN5O8.C5H8O4.C4H7NO4.C3Cl3N3.13Y/c1-34-13(33)7-22(6-12(31)32)16-18-14(20(2-8(23)24)3-9(25)26)17-15(19-16)21(4-10(27)28)5-11(29)30;12-9-13-10(16(1-5(18)19)2-6(20)21)15-11(14-9)17(3-7(22)23)4-8(24)25;6-4(7)2-1-3-5(8)9;6-3(7)1-5-2-4(8)9;4-1-7-2(5)9-3(6)8-1;;;;;;;;;;;;;/h2-7H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32);1-4H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25);1-3H2,(H,6,7)(H,8,9);5H,1-2H2,(H,6,7)(H,8,9);;;;;;;;;;;;;;
InChIKeyLJOKZVRXCFFPCC-UHFFFAOYSA-N
XLogP-3.77
TPSA655.44 Ų
H-Bond Donors14
H-Bond Acceptors30
Rotatable Bonds33
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002471.47
LogP ≤ 5-3.77
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1030

Analyze 2-[[4-[bis(carboxymethyl)amino]-6-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-[[4-[bis(carboxymethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid;pentanedioic acid;2,4,6-trichloro-1,3,5-triazine;tridecakis(yttrium) with MolForge

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Related Compounds

2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103103709
methyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 116796877
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-cyclopropylamino]propanoic acid
CID 62857798
2-[(2-methoxy-2-oxoethyl)-quinolin-8-ylamino]acetic acid
CID 59772112
6-[bis(2-methoxy-2-oxoethyl)amino]hexanoic acid
CID 86014416
methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 116796876
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103103708
dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol;(Z)-octadec-9-enoic acid
CID 174942523
2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid
CID 3489053
4-[(4-methoxy-4-oxobutyl)amino]butanoic acid
CID 139888388
2-[[4-[bis(carboxymethyl)amino]-6-[[(hydroxyamino)methylamino]methoxysulfanyl]-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid
CID 176777213

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[bis(carboxymethyl)amino]-6-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-[[4-[bis(carboxymethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid;pentanedioic acid;2,4,6-trichloro-1,3,5-triazine;tridecakis(yttrium)?
The IUPAC name of 2-[[4-[bis(carboxymethyl)amino]-6-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-[[4-[bis(carboxymethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid;pentanedioic acid;2,4,6-trichloro-1,3,5-triazine;tridecakis(yttrium) (CID 159567815) is 2-[[4-[bis(carboxymethyl)amino]-6-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-[[4-[bis(carboxymethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid;pentanedioic acid;2,4,6-trichloro-1,3,5-triazine;tridecakis(yttrium).
What is the SMILES notation for 2-[[4-[bis(carboxymethyl)amino]-6-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-[[4-[bis(carboxymethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid;pentanedioic acid;2,4,6-trichloro-1,3,5-triazine;tridecakis(yttrium)?
The canonical SMILES for 2-[[4-[bis(carboxymethyl)amino]-6-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-[[4-[bis(carboxymethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid;pentanedioic acid;2,4,6-trichloro-1,3,5-triazine;tridecakis(yttrium) is COC(=O)CN(CC(=O)O)c1nc(N(CC(=O)O)CC(=O)O)nc(N(CC(=O)O)CC(=O)O)n1.Clc1nc(Cl)nc(Cl)n1.O=C(O)CCCC(=O)O.O=C(O)CN(CC(=O)O)c1nc(Cl)nc(N(CC(=O)O)CC(=O)O)n1.O=C(O)CNCC(=O)O.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 2-[[4-[bis(carboxymethyl)amino]-6-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-[[4-[bis(carboxymethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid;pentanedioic acid;2,4,6-trichloro-1,3,5-triazine;tridecakis(yttrium)?
The InChIKey is LJOKZVRXCFFPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O12.C11H12ClN5O8.C5H8O4.C4H7NO4.C3Cl3N3.13Y/c1-34-13(33)7-22(6-12(31)32)16-18-14(20(2-8(23)24)3-9(25)26)17-15(19-16)21(4-10(27)28)5-11(29)30;12-9-13-10(16(1-5(18)19)2-6(20)21)15-11(14-9)17(3-7(22)23)4-8(24)25;6-4(7)2-1-3-5(8)9;6-3(7)1-5-2-4(8)9;4-1-7-2(5)9-3(6)8-1;;;;;;;;;;;;;/h2-7H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32);1-4H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25);1-3H2,(H,6,7)(H,8,9);5H,1-2H2,(H,6,7)(H,8,9);;;;;;;;;;;;;;.
What are the key properties of 2-[[4-[bis(carboxymethyl)amino]-6-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-[[4-[bis(carboxymethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid;pentanedioic acid;2,4,6-trichloro-1,3,5-triazine;tridecakis(yttrium)?
2-[[4-[bis(carboxymethyl)amino]-6-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-[[4-[bis(carboxymethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid;pentanedioic acid;2,4,6-trichloro-1,3,5-triazine;tridecakis(yttrium) has a molecular weight of 2471.47 g/mol, XLogP of -3.77, 33 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[bis(carboxymethyl)amino]-6-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-[[4-[bis(carboxymethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid;pentanedioic acid;2,4,6-trichloro-1,3,5-triazine;tridecakis(yttrium) is sourced from PubChem (CID 159567815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).