2-aminoacetic acid;bis(pyridine-3-carboxylic acid)

C14H15N3O6 — CID 146402763

IUPAC2-aminoacetic acid;bis(pyridine-3-carboxylic acid)
SMILESNCC(=O)O.O=C(O)c1cccnc1.O=C(O)c1cccnc1
InChIInChI=1S/2C6H5NO2.C2H5NO2/c2*8-6(9)5-2-1-3-7-4-5;3-1-2(4)5/h2*1-4H,(H,8,9);1,3H2,(H,4,5)
InChIKeyBARTXIVRZBPRCX-UHFFFAOYSA-N
MW321.29 g/mol
LogP0.59
Rot. Bonds3

About 2-aminoacetic acid;bis(pyridine-3-carboxylic acid)

2-aminoacetic acid;bis(pyridine-3-carboxylic acid) (PubChem CID 146402763) has the molecular formula C14H15N3O6 and a molecular weight of 321.29 g/mol. Its IUPAC name is 2-aminoacetic acid;bis(pyridine-3-carboxylic acid).

Molecular Properties

Compound Name2-aminoacetic acid;bis(pyridine-3-carboxylic acid)
PubChem CID146402763
Molecular FormulaC14H15N3O6
Molecular Weight321.29 g/mol
Exact Mass321.10
IUPAC Name2-aminoacetic acid;bis(pyridine-3-carboxylic acid)
SMILESNCC(=O)O.O=C(O)c1cccnc1.O=C(O)c1cccnc1
InChIInChI=1S/2C6H5NO2.C2H5NO2/c2*8-6(9)5-2-1-3-7-4-5;3-1-2(4)5/h2*1-4H,(H,8,9);1,3H2,(H,4,5)
InChIKeyBARTXIVRZBPRCX-UHFFFAOYSA-N
XLogP0.59
TPSA163.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;bis(pyridine-3-carboxylic acid)?
The IUPAC name of 2-aminoacetic acid;bis(pyridine-3-carboxylic acid) (CID 146402763) is 2-aminoacetic acid;bis(pyridine-3-carboxylic acid).
What is the SMILES notation for 2-aminoacetic acid;bis(pyridine-3-carboxylic acid)?
The canonical SMILES for 2-aminoacetic acid;bis(pyridine-3-carboxylic acid) is NCC(=O)O.O=C(O)c1cccnc1.O=C(O)c1cccnc1.
What is the InChIKey of 2-aminoacetic acid;bis(pyridine-3-carboxylic acid)?
The InChIKey is BARTXIVRZBPRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5NO2.C2H5NO2/c2*8-6(9)5-2-1-3-7-4-5;3-1-2(4)5/h2*1-4H,(H,8,9);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;bis(pyridine-3-carboxylic acid)?
2-aminoacetic acid;bis(pyridine-3-carboxylic acid) has a molecular weight of 321.29 g/mol, XLogP of 0.59, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;bis(pyridine-3-carboxylic acid) is sourced from PubChem (CID 146402763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).