2-[[2-[[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]acetyl]amino]acetyl]amino]propanoic acid

C22H26N8O4 — CID 135235269

IUPAC2-[[2-[[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]acetyl]amino]acetyl]amino]propanoic acid
SMILESCC(NC(=O)CNC(=O)Cn1cc(CN(Cc2ccccn2)Cc2ccccn2)nn1)C(=O)O
InChIInChI=1S/C22H26N8O4/c1-16(22(33)34)26-20(31)10-25-21(32)15-30-14-19(27-28-30)13-29(11-17-6-2-4-8-23-17)12-18-7-3-5-9-24-18/h2-9,14,16H,10-13,15H2,1H3,(H,25,32)(H,26,31)(H,33,34)
InChIKeyHNMMKERIHFOLOB-UHFFFAOYSA-N
MW466.50 g/mol
LogP-0.02
Rot. Bonds12

About 2-[[2-[[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]acetyl]amino]acetyl]amino]propanoic acid

2-[[2-[[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]acetyl]amino]acetyl]amino]propanoic acid (PubChem CID 135235269) has the molecular formula C22H26N8O4 and a molecular weight of 466.50 g/mol. Its IUPAC name is 2-[[2-[[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]acetyl]amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]acetyl]amino]acetyl]amino]propanoic acid
PubChem CID135235269
Molecular FormulaC22H26N8O4
Molecular Weight466.50 g/mol
Exact Mass466.21
IUPAC Name2-[[2-[[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]acetyl]amino]acetyl]amino]propanoic acid
SMILESCC(NC(=O)CNC(=O)Cn1cc(CN(Cc2ccccn2)Cc2ccccn2)nn1)C(=O)O
InChIInChI=1S/C22H26N8O4/c1-16(22(33)34)26-20(31)10-25-21(32)15-30-14-19(27-28-30)13-29(11-17-6-2-4-8-23-17)12-18-7-3-5-9-24-18/h2-9,14,16H,10-13,15H2,1H3,(H,25,32)(H,26,31)(H,33,34)
InChIKeyHNMMKERIHFOLOB-UHFFFAOYSA-N
XLogP-0.02
TPSA155.23 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[[2-[[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]acetyl]amino]acetyl]amino]propanoic acid with MolForge

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Related Compounds

methyl (2R)-2-[[(2S)-6-acetamido-2-[[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]acetyl]amino]hexanoyl]amino]propanoate
CID 155551017
(2S)-2-[[1-(pyridin-2-ylmethyl)triazole-4-carbonyl]amino]propanoic acid
CID 119943054
(2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 78967862
(2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 81454532
2-methyl-3-[[2-(methylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid
CID 82330085
1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-[[1-(3-triethoxysilylpropyl)triazol-4-yl]methyl]methanamine
CID 177493047
methyl (2R)-2-[[(2R)-2-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]propanoyl]amino]propanoate
CID 118001065
2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 115459911
2-[4-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]phenyl]acetic acid
CID 134263999
2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 112530298
methyl (2S)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]propanoate
CID 115459166
2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 55105026

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]acetyl]amino]acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]acetyl]amino]acetyl]amino]propanoic acid (CID 135235269) is 2-[[2-[[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]acetyl]amino]acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]acetyl]amino]acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]acetyl]amino]acetyl]amino]propanoic acid is CC(NC(=O)CNC(=O)Cn1cc(CN(Cc2ccccn2)Cc2ccccn2)nn1)C(=O)O.
What is the InChIKey of 2-[[2-[[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]acetyl]amino]acetyl]amino]propanoic acid?
The InChIKey is HNMMKERIHFOLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O4/c1-16(22(33)34)26-20(31)10-25-21(32)15-30-14-19(27-28-30)13-29(11-17-6-2-4-8-23-17)12-18-7-3-5-9-24-18/h2-9,14,16H,10-13,15H2,1H3,(H,25,32)(H,26,31)(H,33,34).
What are the key properties of 2-[[2-[[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]acetyl]amino]acetyl]amino]propanoic acid?
2-[[2-[[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]acetyl]amino]acetyl]amino]propanoic acid has a molecular weight of 466.50 g/mol, XLogP of -0.02, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]acetyl]amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 135235269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).