5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid

C13H19N3O3 — CID 81099373

IUPAC5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCCC(N)(CC)C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H19N3O3/c1-3-13(14,4-2)12(19)16-8-9-5-6-10(11(17)18)15-7-9/h5-7H,3-4,8,14H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyZIQOLQYXLWLVDX-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.91
Rot. Bonds6

About 5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid

5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81099373) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID81099373
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCCC(N)(CC)C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H19N3O3/c1-3-13(14,4-2)12(19)16-8-9-5-6-10(11(17)18)15-7-9/h5-7H,3-4,8,14H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyZIQOLQYXLWLVDX-UHFFFAOYSA-N
XLogP0.91
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81100486
5-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 112555795
2-amino-N-[(4-bromophenyl)methyl]-2-ethylbutanamide
CID 79810288
5-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81098482
5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid
CID 81100485
5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099689
5-[(octanoylamino)methyl]pyridine-2-carboxylic acid
CID 81099659
2-amino-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 79814612
5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100153
2-amino-2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]butanamide
CID 79809845
5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096531
5-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81090541

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid (CID 81099373) is 5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid is CCC(N)(CC)C(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is ZIQOLQYXLWLVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-13(14,4-2)12(19)16-8-9-5-6-10(11(17)18)15-7-9/h5-7H,3-4,8,14H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81099373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).