2-[4-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;yttrium(3+)

C24H38N9O11Y — CID 46194238

About 2-[4-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;yttrium(3+)

2-[4-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;yttrium(3+) (PubChem CID 46194238) has the molecular formula C24H38N9O11Y and a molecular weight of 717.53 g/mol. Its IUPAC name is 2-[4-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;yttrium(3+).

Molecular Properties

• Compound Name: 2-[4-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;yttrium(3+)
• PubChem CID: 46194238
• Molecular Formula: C24H38N9O11Y
• Molecular Weight: 717.53 g/mol
• Exact Mass: 717.17
• IUPAC Name: 2-[4-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;yttrium(3+)
• SMILES: NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN1CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC1.[Y+3]
• InChI: InChI=1S/C24H41N9O11.Y/c25-17(34)9-26-18(35)10-27-19(36)11-28-20(37)12-29-21(38)13-30-1-3-31(14-22(39)40)5-7-33(16-24(43)44)8-6-32(4-2-30)15-23(41)42;/h1-16H2,(H2,25,34)(H,26,35)(H,27,36)(H,28,37)(H,29,38)(H,39,40)(H,41,42)(H,43,44);/q;+3/p-3
• InChIKey: CEWXUDHRUXUSCE-UHFFFAOYSA-K
• XLogP: -10.59
• TPSA: 292.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.53
LogP ≤ 5	-10.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;yttrium(3+)?

The IUPAC name of 2-[4-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;yttrium(3+) (CID 46194238) is 2-[4-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;yttrium(3+).

What is the SMILES notation for 2-[4-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;yttrium(3+)?

The canonical SMILES for 2-[4-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;yttrium(3+) is NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN1CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC1.[Y+3].

What is the InChIKey of 2-[4-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;yttrium(3+)?

The InChIKey is CEWXUDHRUXUSCE-UHFFFAOYSA-K. The full InChI is InChI=1S/C24H41N9O11.Y/c25-17(34)9-26-18(35)10-27-19(36)11-28-20(37)12-29-21(38)13-30-1-3-31(14-22(39)40)5-7-33(16-24(43)44)8-6-32(4-2-30)15-23(41)42;/h1-16H2,(H2,25,34)(H,26,35)(H,27,36)(H,28,37)(H,29,38)(H,39,40)(H,41,42)(H,43,44);/q;+3/p-3.

What are the key properties of 2-[4-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;yttrium(3+)?

2-[4-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;yttrium(3+) has a molecular weight of 717.53 g/mol, XLogP of -10.59, 16 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;yttrium(3+) is sourced from PubChem (CID 46194238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).