2-[[2-[[2-[2-[2-[2-[2-[2-[[2-[[2-(carboxymethylamino)acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid;2,2,2-trifluoroacetic acid

C24H41F3N6O14 — CID 175787432

IUPAC2-[[2-[[2-[2-[2-[2-[2-[2-[[2-[[2-(carboxymethylamino)acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)CNCC(=O)NCC(=O)NCCOCCOCCOCCOCCNC(=O)CNC(=O)CNCC(=O)O
InChIInChI=1S/C22H40N6O12.C2HF3O2/c29-17(11-23-15-21(33)34)27-13-19(31)25-1-3-37-5-7-39-9-10-40-8-6-38-4-2-26-20(32)14-28-18(30)12-24-16-22(35)36;3-2(4,5)1(6)7/h23-24H,1-16H2,(H,25,31)(H,26,32)(H,27,29)(H,28,30)(H,33,34)(H,35,36);(H,6,7)
InChIKeyWIZXHMAISDWFTQ-UHFFFAOYSA-N
MW694.61 g/mol
LogP-4.50
Rot. Bonds27

About 2-[[2-[[2-[2-[2-[2-[2-[2-[[2-[[2-(carboxymethylamino)acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid;2,2,2-trifluoroacetic acid

2-[[2-[[2-[2-[2-[2-[2-[2-[[2-[[2-(carboxymethylamino)acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 175787432) has the molecular formula C24H41F3N6O14 and a molecular weight of 694.61 g/mol. Its IUPAC name is 2-[[2-[[2-[2-[2-[2-[2-[2-[[2-[[2-(carboxymethylamino)acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[[2-[[2-[2-[2-[2-[2-[2-[[2-[[2-(carboxymethylamino)acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid;2,2,2-trifluoroacetic acid
PubChem CID175787432
Molecular FormulaC24H41F3N6O14
Molecular Weight694.61 g/mol
Exact Mass694.26
IUPAC Name2-[[2-[[2-[2-[2-[2-[2-[2-[[2-[[2-(carboxymethylamino)acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)CNCC(=O)NCC(=O)NCCOCCOCCOCCOCCNC(=O)CNC(=O)CNCC(=O)O
InChIInChI=1S/C22H40N6O12.C2HF3O2/c29-17(11-23-15-21(33)34)27-13-19(31)25-1-3-37-5-7-39-9-10-40-8-6-38-4-2-26-20(32)14-28-18(30)12-24-16-22(35)36;3-2(4,5)1(6)7/h23-24H,1-16H2,(H,25,31)(H,26,32)(H,27,29)(H,28,30)(H,33,34)(H,35,36);(H,6,7)
InChIKeyWIZXHMAISDWFTQ-UHFFFAOYSA-N
XLogP-4.50
TPSA289.28 Ų
H-Bond Donors9
H-Bond Acceptors13
Rotatable Bonds27
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500694.61
LogP ≤ 5-4.50
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-[[2-[[2-[2-[2-[2-[2-[2-[[2-[[2-(carboxymethylamino)acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[2-[2-[2-[2-[2-[[2-[[2-(carboxymethylamino)acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[[2-[[2-[2-[2-[2-[2-[2-[[2-[[2-(carboxymethylamino)acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid;2,2,2-trifluoroacetic acid (CID 175787432) is 2-[[2-[[2-[2-[2-[2-[2-[2-[[2-[[2-(carboxymethylamino)acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[[2-[[2-[2-[2-[2-[2-[2-[[2-[[2-(carboxymethylamino)acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[[2-[[2-[2-[2-[2-[2-[2-[[2-[[2-(carboxymethylamino)acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)CNCC(=O)NCC(=O)NCCOCCOCCOCCOCCNC(=O)CNC(=O)CNCC(=O)O.
What is the InChIKey of 2-[[2-[[2-[2-[2-[2-[2-[2-[[2-[[2-(carboxymethylamino)acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is WIZXHMAISDWFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N6O12.C2HF3O2/c29-17(11-23-15-21(33)34)27-13-19(31)25-1-3-37-5-7-39-9-10-40-8-6-38-4-2-26-20(32)14-28-18(30)12-24-16-22(35)36;3-2(4,5)1(6)7/h23-24H,1-16H2,(H,25,31)(H,26,32)(H,27,29)(H,28,30)(H,33,34)(H,35,36);(H,6,7).
What are the key properties of 2-[[2-[[2-[2-[2-[2-[2-[2-[[2-[[2-(carboxymethylamino)acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid;2,2,2-trifluoroacetic acid?
2-[[2-[[2-[2-[2-[2-[2-[2-[[2-[[2-(carboxymethylamino)acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 694.61 g/mol, XLogP of -4.50, 27 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[2-[2-[2-[2-[2-[[2-[[2-(carboxymethylamino)acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175787432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).