2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl(2-oxopropyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid;2-[6-[bis(carboxymethyl)amino]hexyl-(2-oxopropyl)amino]acetic acid;2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid;2-[3-[bis(carboxymethyl)amino]propyl-(2-oxopropyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl(2-oxopropyl)amino]propyl]amino]acetic acid

C77H129N13O45 — CID 158317113

About 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl(2-oxopropyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid;2-[6-[bis(carboxymethyl)amino]hexyl-(2-oxopropyl)amino]acetic acid;2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid;2-[3-[bis(carboxymethyl)amino]propyl-(2-oxopropyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl(2-oxopropyl)amino]propyl]amino]acetic acid

2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl(2-oxopropyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid;2-[6-[bis(carboxymethyl)amino]hexyl-(2-oxopropyl)amino]acetic acid;2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid;2-[3-[bis(carboxymethyl)amino]propyl-(2-oxopropyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl(2-oxopropyl)amino]propyl]amino]acetic acid (PubChem CID 158317113) has the molecular formula C77H129N13O45 and a molecular weight of 1956.92 g/mol. Its IUPAC name is 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl(2-oxopropyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid;2-[6-[bis(carboxymethyl)amino]hexyl-(2-oxopropyl)amino]acetic acid;2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid;2-[3-[bis(carboxymethyl)amino]propyl-(2-oxopropyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl(2-oxopropyl)amino]propyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl(2-oxopropyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid;2-[6-[bis(carboxymethyl)amino]hexyl-(2-oxopropyl)amino]acetic acid;2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid;2-[3-[bis(carboxymethyl)amino]propyl-(2-oxopropyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl(2-oxopropyl)amino]propyl]amino]acetic acid
• PubChem CID: 158317113
• Molecular Formula: C77H129N13O45
• Molecular Weight: 1956.92 g/mol
• Exact Mass: 1955.82
• IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl(2-oxopropyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid;2-[6-[bis(carboxymethyl)amino]hexyl-(2-oxopropyl)amino]acetic acid;2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid;2-[3-[bis(carboxymethyl)amino]propyl-(2-oxopropyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl(2-oxopropyl)amino]propyl]amino]acetic acid
• SMILES: CC(=O)CN(CC(=O)O)C(C)CN(CC(=O)O)CC(=O)O.CC(=O)CN(CC(=O)O)CC(O)CN(CC(=O)O)CC(=O)O.CC(=O)CN(CCCCCCN(CC(=O)O)CC(=O)O)CC(=O)O.CC(=O)CN(CCCN(CC(=O)O)CC(=O)O)CC(=O)O.CC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.CC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O
• InChI: InChI=1S/C15H25N3O9.C15H26N2O7.C12H20N2O8.2C12H20N2O7.C11H18N2O7/c1-11(19)6-17(8-13(22)23)4-2-16(7-12(20)21)3-5-18(9-14(24)25)10-15(26)27;1-12(18)8-16(9-13(19)20)6-4-2-3-5-7-17(10-14(21)22)11-15(23)24;1-8(15)2-13(5-10(17)18)3-9(16)4-14(6-11(19)20)7-12(21)22;1-8(14(4-9(2)15)7-12(20)21)3-13(5-10(16)17)6-11(18)19;1-9(15)5-13(6-10(16)17)3-2-4-14(7-11(18)19)8-12(20)21;1-8(14)4-12(5-9(15)16)2-3-13(6-10(17)18)7-11(19)20/h2-10H2,1H3,(H,20,21)(H,22,23)(H,24,25)(H,26,27);2-11H2,1H3,(H,19,20)(H,21,22)(H,23,24);9,16H,2-7H2,1H3,(H,17,18)(H,19,20)(H,21,22);8H,3-7H2,1-2H3,(H,16,17)(H,18,19)(H,20,21);2-8H2,1H3,(H,16,17)(H,18,19)(H,20,21);2-7H2,1H3,(H,15,16)(H,17,18)(H,19,20)
• InChIKey: GOJWCXIADVWHGV-UHFFFAOYSA-N
• XLogP: -8.31
• TPSA: 873.47 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 39
• Rotatable Bonds: 77
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1956.92
LogP ≤ 5	-8.31
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl(2-oxopropyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid;2-[6-[bis(carboxymethyl)amino]hexyl-(2-oxopropyl)amino]acetic acid;2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid;2-[3-[bis(carboxymethyl)amino]propyl-(2-oxopropyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl(2-oxopropyl)amino]propyl]amino]acetic acid?

The IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl(2-oxopropyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid;2-[6-[bis(carboxymethyl)amino]hexyl-(2-oxopropyl)amino]acetic acid;2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid;2-[3-[bis(carboxymethyl)amino]propyl-(2-oxopropyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl(2-oxopropyl)amino]propyl]amino]acetic acid (CID 158317113) is 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl(2-oxopropyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid;2-[6-[bis(carboxymethyl)amino]hexyl-(2-oxopropyl)amino]acetic acid;2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid;2-[3-[bis(carboxymethyl)amino]propyl-(2-oxopropyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl(2-oxopropyl)amino]propyl]amino]acetic acid.

What is the SMILES notation for 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl(2-oxopropyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid;2-[6-[bis(carboxymethyl)amino]hexyl-(2-oxopropyl)amino]acetic acid;2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid;2-[3-[bis(carboxymethyl)amino]propyl-(2-oxopropyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl(2-oxopropyl)amino]propyl]amino]acetic acid?

The canonical SMILES for 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl(2-oxopropyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid;2-[6-[bis(carboxymethyl)amino]hexyl-(2-oxopropyl)amino]acetic acid;2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid;2-[3-[bis(carboxymethyl)amino]propyl-(2-oxopropyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl(2-oxopropyl)amino]propyl]amino]acetic acid is CC(=O)CN(CC(=O)O)C(C)CN(CC(=O)O)CC(=O)O.CC(=O)CN(CC(=O)O)CC(O)CN(CC(=O)O)CC(=O)O.CC(=O)CN(CCCCCCN(CC(=O)O)CC(=O)O)CC(=O)O.CC(=O)CN(CCCN(CC(=O)O)CC(=O)O)CC(=O)O.CC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.CC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O.

What is the InChIKey of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl(2-oxopropyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid;2-[6-[bis(carboxymethyl)amino]hexyl-(2-oxopropyl)amino]acetic acid;2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid;2-[3-[bis(carboxymethyl)amino]propyl-(2-oxopropyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl(2-oxopropyl)amino]propyl]amino]acetic acid?

The InChIKey is GOJWCXIADVWHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O9.C15H26N2O7.C12H20N2O8.2C12H20N2O7.C11H18N2O7/c1-11(19)6-17(8-13(22)23)4-2-16(7-12(20)21)3-5-18(9-14(24)25)10-15(26)27;1-12(18)8-16(9-13(19)20)6-4-2-3-5-7-17(10-14(21)22)11-15(23)24;1-8(15)2-13(5-10(17)18)3-9(16)4-14(6-11(19)20)7-12(21)22;1-8(14(4-9(2)15)7-12(20)21)3-13(5-10(16)17)6-11(18)19;1-9(15)5-13(6-10(16)17)3-2-4-14(7-11(18)19)8-12(20)21;1-8(14)4-12(5-9(15)16)2-3-13(6-10(17)18)7-11(19)20/h2-10H2,1H3,(H,20,21)(H,22,23)(H,24,25)(H,26,27);2-11H2,1H3,(H,19,20)(H,21,22)(H,23,24);9,16H,2-7H2,1H3,(H,17,18)(H,19,20)(H,21,22);8H,3-7H2,1-2H3,(H,16,17)(H,18,19)(H,20,21);2-8H2,1H3,(H,16,17)(H,18,19)(H,20,21);2-7H2,1H3,(H,15,16)(H,17,18)(H,19,20).

What are the key properties of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl(2-oxopropyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid;2-[6-[bis(carboxymethyl)amino]hexyl-(2-oxopropyl)amino]acetic acid;2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid;2-[3-[bis(carboxymethyl)amino]propyl-(2-oxopropyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl(2-oxopropyl)amino]propyl]amino]acetic acid?

2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl(2-oxopropyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid;2-[6-[bis(carboxymethyl)amino]hexyl-(2-oxopropyl)amino]acetic acid;2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid;2-[3-[bis(carboxymethyl)amino]propyl-(2-oxopropyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl(2-oxopropyl)amino]propyl]amino]acetic acid has a molecular weight of 1956.92 g/mol, XLogP of -8.31, 77 rotatable bonds, 20 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl(2-oxopropyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid;2-[6-[bis(carboxymethyl)amino]hexyl-(2-oxopropyl)amino]acetic acid;2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid;2-[3-[bis(carboxymethyl)amino]propyl-(2-oxopropyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl(2-oxopropyl)amino]propyl]amino]acetic acid is sourced from PubChem (CID 158317113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).