5-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid

C13H19N3O3 — CID 112555795

IUPAC5-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)C(N)C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)10(14)11(17)16-7-8-4-5-9(12(18)19)15-6-8/h4-6,10H,7,14H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyNDGMTFUZCOHHKN-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.77
Rot. Bonds4

About 5-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid

5-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 112555795) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID112555795
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)C(N)C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)10(14)11(17)16-7-8-4-5-9(12(18)19)15-6-8/h4-6,10H,7,14H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyNDGMTFUZCOHHKN-UHFFFAOYSA-N
XLogP0.77
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81098482
5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81100486
5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid
CID 81100485
5-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]pyridine-2-carboxylic acid
CID 81089954
5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099373
(2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide
CID 103928385
(2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61148496
5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 103156329
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide
CID 119848280
3-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]benzoic acid
CID 76894229
(2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384847
2-amino-N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylbutanamide
CID 76893522

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid (CID 112555795) is 5-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid is CC(C)(C)C(N)C(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is NDGMTFUZCOHHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,3)10(14)11(17)16-7-8-4-5-9(12(18)19)15-6-8/h4-6,10H,7,14H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 5-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 112555795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).