2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid;2,2,2-trifluoroacetic acid

C14H21F3N6O9 — CID 20523592

About 2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid;2,2,2-trifluoroacetic acid

2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 20523592) has the molecular formula C14H21F3N6O9 and a molecular weight of 474.35 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid;2,2,2-trifluoroacetic acid
• PubChem CID: 20523592
• Molecular Formula: C14H21F3N6O9
• Molecular Weight: 474.35 g/mol
• Exact Mass: 474.13
• IUPAC Name: 2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid;2,2,2-trifluoroacetic acid
• SMILES: NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O.O=C(O)C(F)(F)F
• InChI: InChI=1S/C12H20N6O7.C2HF3O2/c13-1-7(19)14-2-8(20)15-3-9(21)16-4-10(22)17-5-11(23)18-6-12(24)25;3-2(4,5)1(6)7/h1-6,13H2,(H,14,19)(H,15,20)(H,16,21)(H,17,22)(H,18,23)(H,24,25);(H,6,7)
• InChIKey: HTKXRJQTNCCEIL-UHFFFAOYSA-N
• XLogP: -4.76
• TPSA: 246.12 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.35
LogP ≤ 5	-4.76
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid;2,2,2-trifluoroacetic acid (CID 20523592) is 2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid;2,2,2-trifluoroacetic acid is NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O.O=C(O)C(F)(F)F.

What is the InChIKey of 2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid;2,2,2-trifluoroacetic acid?

The InChIKey is HTKXRJQTNCCEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O7.C2HF3O2/c13-1-7(19)14-2-8(20)15-3-9(21)16-4-10(22)17-5-11(23)18-6-12(24)25;3-2(4,5)1(6)7/h1-6,13H2,(H,14,19)(H,15,20)(H,16,21)(H,17,22)(H,18,23)(H,24,25);(H,6,7).

What are the key properties of 2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid;2,2,2-trifluoroacetic acid?

2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 474.35 g/mol, XLogP of -4.76, 11 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 20523592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).