2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid

C11H13ClN2O3 — CID 43091866

IUPAC2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)c1ccc(Cl)nc1)C(=O)O
InChIInChI=1S/C11H13ClN2O3/c1-6(2)9(11(16)17)14-10(15)7-3-4-8(12)13-5-7/h3-6,9H,1-2H3,(H,14,15)(H,16,17)
InChIKeyUVOJPYAUBLLYSC-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.57
Rot. Bonds4

About 2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid

2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 43091866) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
PubChem CID43091866
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)c1ccc(Cl)nc1)C(=O)O
InChIInChI=1S/C11H13ClN2O3/c1-6(2)9(11(16)17)14-10(15)7-3-4-8(12)13-5-7/h3-6,9H,1-2H3,(H,14,15)(H,16,17)
InChIKeyUVOJPYAUBLLYSC-UHFFFAOYSA-N
XLogP1.57
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
CID 30066832
6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 28880213
(2S)-2-[(6-fluoropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 103804178
(2S)-2-[(3,4-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 42255555
(2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid
CID 107371470
(2S)-2-[(6-chloropyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 93303062
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589
(2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 114036881
(2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 119368692
N-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide
CID 115664808
(2R)-3-methyl-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 79010985
2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 66465881

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid (CID 43091866) is 2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid is CC(C)C(NC(=O)c1ccc(Cl)nc1)C(=O)O.
What is the InChIKey of 2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is UVOJPYAUBLLYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-6(2)9(11(16)17)14-10(15)7-3-4-8(12)13-5-7/h3-6,9H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid?
2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 256.69 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 43091866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).