azanide;2-[4,7-bis(carboxymethyl)-1,4,7-triaza-10-azanidacyclododec-1-yl]acetic acid;uranium(2+)

C14H27N5O6U — CID 142009012

About azanide;2-[4,7-bis(carboxymethyl)-1,4,7-triaza-10-azanidacyclododec-1-yl]acetic acid;uranium(2+)

azanide;2-[4,7-bis(carboxymethyl)-1,4,7-triaza-10-azanidacyclododec-1-yl]acetic acid;uranium(2+) (PubChem CID 142009012) has the molecular formula C14H27N5O6U and a molecular weight of 599.43 g/mol. Its IUPAC name is azanide;2-[4,7-bis(carboxymethyl)-1,4,7-triaza-10-azanidacyclododec-1-yl]acetic acid;uranium(2+).

Molecular Properties

• Compound Name: azanide;2-[4,7-bis(carboxymethyl)-1,4,7-triaza-10-azanidacyclododec-1-yl]acetic acid;uranium(2+)
• PubChem CID: 142009012
• Molecular Formula: C14H27N5O6U
• Molecular Weight: 599.43 g/mol
• Exact Mass: 599.25
• IUPAC Name: azanide;2-[4,7-bis(carboxymethyl)-1,4,7-triaza-10-azanidacyclododec-1-yl]acetic acid;uranium(2+)
• SMILES: O=C(O)CN1CC[N-]CCN(CC(=O)O)CCN(CC(=O)O)CC1.[NH2-].[U+2]
• InChI: InChI=1S/C14H25N4O6.H2N.U/c19-12(20)9-16-3-1-15-2-4-17(10-13(21)22)6-8-18(7-5-16)11-14(23)24;;/h1-11H2,(H,19,20)(H,21,22)(H,23,24);1H2;/q2*-1;+2
• InChIKey: HIWBKAJIFMFPOS-UHFFFAOYSA-N
• XLogP: -0.75
• TPSA: 169.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.43
LogP ≤ 5	-0.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of azanide;2-[4,7-bis(carboxymethyl)-1,4,7-triaza-10-azanidacyclododec-1-yl]acetic acid;uranium(2+)?

The IUPAC name of azanide;2-[4,7-bis(carboxymethyl)-1,4,7-triaza-10-azanidacyclododec-1-yl]acetic acid;uranium(2+) (CID 142009012) is azanide;2-[4,7-bis(carboxymethyl)-1,4,7-triaza-10-azanidacyclododec-1-yl]acetic acid;uranium(2+).

What is the SMILES notation for azanide;2-[4,7-bis(carboxymethyl)-1,4,7-triaza-10-azanidacyclododec-1-yl]acetic acid;uranium(2+)?

The canonical SMILES for azanide;2-[4,7-bis(carboxymethyl)-1,4,7-triaza-10-azanidacyclododec-1-yl]acetic acid;uranium(2+) is O=C(O)CN1CC[N-]CCN(CC(=O)O)CCN(CC(=O)O)CC1.[NH2-].[U+2].

What is the InChIKey of azanide;2-[4,7-bis(carboxymethyl)-1,4,7-triaza-10-azanidacyclododec-1-yl]acetic acid;uranium(2+)?

The InChIKey is HIWBKAJIFMFPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N4O6.H2N.U/c19-12(20)9-16-3-1-15-2-4-17(10-13(21)22)6-8-18(7-5-16)11-14(23)24;;/h1-11H2,(H,19,20)(H,21,22)(H,23,24);1H2;/q2*-1;+2.

What are the key properties of azanide;2-[4,7-bis(carboxymethyl)-1,4,7-triaza-10-azanidacyclododec-1-yl]acetic acid;uranium(2+)?

azanide;2-[4,7-bis(carboxymethyl)-1,4,7-triaza-10-azanidacyclododec-1-yl]acetic acid;uranium(2+) has a molecular weight of 599.43 g/mol, XLogP of -0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for azanide;2-[4,7-bis(carboxymethyl)-1,4,7-triaza-10-azanidacyclododec-1-yl]acetic acid;uranium(2+) is sourced from PubChem (CID 142009012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).