3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride

C11H15ClN2O3 — CID 52993255

IUPAC3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride
SMILESCC(C)C(NC(=O)c1cccnc1)C(=O)O.Cl
InChIInChI=1S/C11H14N2O3.ClH/c1-7(2)9(11(15)16)13-10(14)8-4-3-5-12-6-8;/h3-7,9H,1-2H3,(H,13,14)(H,15,16);1H
InChIKeyZYZDRXVFRXHFRI-UHFFFAOYSA-N
MW258.70 g/mol
LogP1.34
Rot. Bonds4

About 3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride

3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride (PubChem CID 52993255) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride.

Molecular Properties

Compound Name3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride
PubChem CID52993255
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride
SMILESCC(C)C(NC(=O)c1cccnc1)C(=O)O.Cl
InChIInChI=1S/C11H14N2O3.ClH/c1-7(2)9(11(15)16)13-10(14)8-4-3-5-12-6-8;/h3-7,9H,1-2H3,(H,13,14)(H,15,16);1H
InChIKeyZYZDRXVFRXHFRI-UHFFFAOYSA-N
XLogP1.34
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid
CID 843815
(2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
CID 30066832
N-[1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide
CID 172719109
N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 54216769
(2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid
CID 59166574
N-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide
CID 103751046
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 28979295
(2R)-3-methyl-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 79010985
(2S)-2-[(6-fluoropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 103804178
2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 43091866
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
3-methyl-2-(pyridin-1-ium-3-carbonylamino)butanoic acid
CID 3988388

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride?
The IUPAC name of 3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride (CID 52993255) is 3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride.
What is the SMILES notation for 3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride?
The canonical SMILES for 3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride is CC(C)C(NC(=O)c1cccnc1)C(=O)O.Cl.
What is the InChIKey of 3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride?
The InChIKey is ZYZDRXVFRXHFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3.ClH/c1-7(2)9(11(15)16)13-10(14)8-4-3-5-12-6-8;/h3-7,9H,1-2H3,(H,13,14)(H,15,16);1H.
What are the key properties of 3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride?
3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride has a molecular weight of 258.70 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride is sourced from PubChem (CID 52993255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).