6-[[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid

C16H15N3O6 — CID 101447146

IUPAC6-[[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)CN(Cc1cccc(C(=O)O)n1)Cc1cccc(C(=O)O)n1
InChIInChI=1S/C16H15N3O6/c20-14(21)9-19(7-10-3-1-5-12(17-10)15(22)23)8-11-4-2-6-13(18-11)16(24)25/h1-6H,7-9H2,(H,20,21)(H,22,23)(H,24,25)
InChIKeyRTRAAXAASNLJIE-UHFFFAOYSA-N
MW345.31 g/mol
LogP0.96
Rot. Bonds8

About 6-[[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid

6-[[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 101447146) has the molecular formula C16H15N3O6 and a molecular weight of 345.31 g/mol. Its IUPAC name is 6-[[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID101447146
Molecular FormulaC16H15N3O6
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC Name6-[[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)CN(Cc1cccc(C(=O)O)n1)Cc1cccc(C(=O)O)n1
InChIInChI=1S/C16H15N3O6/c20-14(21)9-19(7-10-3-1-5-12(17-10)15(22)23)8-11-4-2-6-13(18-11)16(24)25/h1-6H,7-9H2,(H,20,21)(H,22,23)(H,24,25)
InChIKeyRTRAAXAASNLJIE-UHFFFAOYSA-N
XLogP0.96
TPSA140.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid (CID 101447146) is 6-[[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid is O=C(O)CN(Cc1cccc(C(=O)O)n1)Cc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is RTRAAXAASNLJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6/c20-14(21)9-19(7-10-3-1-5-12(17-10)15(22)23)8-11-4-2-6-13(18-11)16(24)25/h1-6H,7-9H2,(H,20,21)(H,22,23)(H,24,25).
What are the key properties of 6-[[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid?
6-[[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 345.31 g/mol, XLogP of 0.96, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 101447146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).