2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol)

C59H118N8O20 — CID 173025963

IUPAC2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol)
SMILESCC1(C)CC(O)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C14H23N3O10.5C9H19NO2/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;5*1-8(2)5-7(11)6-9(3,4)10(8)12/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);5*7,11-12H,5-6H2,1-4H3
InChIKeyUZMPJSOXOTXXGI-UHFFFAOYSA-N
MW1259.63 g/mol
LogP4.26
Rot. Bonds16

About 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol)

2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol) (PubChem CID 173025963) has the molecular formula C59H118N8O20 and a molecular weight of 1259.63 g/mol. Its IUPAC name is 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol).

Molecular Properties

Compound Name2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol)
PubChem CID173025963
Molecular FormulaC59H118N8O20
Molecular Weight1259.63 g/mol
Exact Mass1258.85
IUPAC Name2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol)
SMILESCC1(C)CC(O)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C14H23N3O10.5C9H19NO2/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;5*1-8(2)5-7(11)6-9(3,4)10(8)12/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);5*7,11-12H,5-6H2,1-4H3
InChIKeyUZMPJSOXOTXXGI-UHFFFAOYSA-N
XLogP4.26
TPSA414.72 Ų
H-Bond Donors15
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001259.63
LogP ≤ 54.26
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1023

Analyze 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol) with MolForge

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Related Compounds

2-[carboxymethyl-[2-[2-[carboxymethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 50943130
2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]acetic acid
CID 54019631
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid
CID 173256440
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1,2,2,6,6-pentamethylpiperidin-4-one)
CID 173026071
Ca-DTPA
CID 86735184
Pentasodium (carboxymethylimino)bis(ethylene-nitrilo)tetraacetic acid
CID 131710950
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+)
CID 6396686
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;lanthanum(3+)
CID 10230281
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ruthenium
CID 173217392
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid;molecular hydrogen
CID 160537097
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;platinum(4+)
CID 73213829
disodium;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(3+)
CID 139596317

Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol)?
The IUPAC name of 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol) (CID 173025963) is 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol).
What is the SMILES notation for 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol)?
The canonical SMILES for 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol) is CC1(C)CC(O)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol)?
The InChIKey is UZMPJSOXOTXXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O10.5C9H19NO2/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;5*1-8(2)5-7(11)6-9(3,4)10(8)12/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);5*7,11-12H,5-6H2,1-4H3.
What are the key properties of 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol)?
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol) has a molecular weight of 1259.63 g/mol, XLogP of 4.26, 16 rotatable bonds, 15 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol) is sourced from PubChem (CID 173025963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).