[(2R)-2-carboxybutan-2-yl]azanium;pyridine-3-carboxylate

C11H16N2O4 — CID 169075412

IUPAC[(2R)-2-carboxybutan-2-yl]azanium;pyridine-3-carboxylate
SMILESCC[C@@](C)([NH3+])C(=O)O.O=C([O-])c1cccnc1
InChIInChI=1S/C6H5NO2.C5H11NO2/c8-6(9)5-2-1-3-7-4-5;1-3-5(2,6)4(7)8/h1-4H,(H,8,9);3,6H2,1-2H3,(H,7,8)/t;5-/m.1/s1
InChIKeyHUYKWTZZTZFQJF-QDXATWJZSA-N
MW240.26 g/mol
LogP-1.07
Rot. Bonds3

About [(2R)-2-carboxybutan-2-yl]azanium;pyridine-3-carboxylate

[(2R)-2-carboxybutan-2-yl]azanium;pyridine-3-carboxylate (PubChem CID 169075412) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is [(2R)-2-carboxybutan-2-yl]azanium;pyridine-3-carboxylate.

Molecular Properties

Compound Name[(2R)-2-carboxybutan-2-yl]azanium;pyridine-3-carboxylate
PubChem CID169075412
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name[(2R)-2-carboxybutan-2-yl]azanium;pyridine-3-carboxylate
SMILESCC[C@@](C)([NH3+])C(=O)O.O=C([O-])c1cccnc1
InChIInChI=1S/C6H5NO2.C5H11NO2/c8-6(9)5-2-1-3-7-4-5;1-3-5(2,6)4(7)8/h1-4H,(H,8,9);3,6H2,1-2H3,(H,7,8)/t;5-/m.1/s1
InChIKeyHUYKWTZZTZFQJF-QDXATWJZSA-N
XLogP-1.07
TPSA117.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

neodymium(3+);pyridine-3-carboxylate
CID 23619365
bis(pyridine-3-carboxylate);ruthenium(2+)
CID 87535471
iodoethane;pyridine-3-carboxylic acid
CID 158495952
sodium 2-amino-2-(pyridine-3-carbonyl)butanoate
CID 68762841
2-amino-2-methyl-1-pyridin-3-ylpentan-1-one
CID 116557032
2,2-dimethylbutane tribenzoate
CID 22607007
CID 157283677
CID 157283677
nickel;pyridine-3-carboxylic acid
CID 174049937
2-ethyl-6-methylpyridin-1-ium-3-ol;pyridine-3-carboxylate
CID 142771597
2-pyridin-3-ylpent-1-en-3-one
CID 155931297
calcium;hydride;pyridine-3-carboxylic acid
CID 173013176
N'-hydroxypyridine-3-carboximidamide;pyridine-3-carboxylate
CID 22353992

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-carboxybutan-2-yl]azanium;pyridine-3-carboxylate?
The IUPAC name of [(2R)-2-carboxybutan-2-yl]azanium;pyridine-3-carboxylate (CID 169075412) is [(2R)-2-carboxybutan-2-yl]azanium;pyridine-3-carboxylate.
What is the SMILES notation for [(2R)-2-carboxybutan-2-yl]azanium;pyridine-3-carboxylate?
The canonical SMILES for [(2R)-2-carboxybutan-2-yl]azanium;pyridine-3-carboxylate is CC[C@@](C)([NH3+])C(=O)O.O=C([O-])c1cccnc1.
What is the InChIKey of [(2R)-2-carboxybutan-2-yl]azanium;pyridine-3-carboxylate?
The InChIKey is HUYKWTZZTZFQJF-QDXATWJZSA-N. The full InChI is InChI=1S/C6H5NO2.C5H11NO2/c8-6(9)5-2-1-3-7-4-5;1-3-5(2,6)4(7)8/h1-4H,(H,8,9);3,6H2,1-2H3,(H,7,8)/t;5-/m.1/s1.
What are the key properties of [(2R)-2-carboxybutan-2-yl]azanium;pyridine-3-carboxylate?
[(2R)-2-carboxybutan-2-yl]azanium;pyridine-3-carboxylate has a molecular weight of 240.26 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-carboxybutan-2-yl]azanium;pyridine-3-carboxylate is sourced from PubChem (CID 169075412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).