methyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate

C13H17ClN2O3 — CID 51681559

IUPACmethyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H17ClN2O3/c1-8(2)6-10(13(18)19-3)16-12(17)9-4-5-11(14)15-7-9/h4-5,7-8,10H,6H2,1-3H3,(H,16,17)/t10-/m1/s1
InChIKeyVMASXKWYESWHTG-SNVBAGLBSA-N
MW284.74 g/mol
LogP2.05
Rot. Bonds5

About methyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate

methyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate (PubChem CID 51681559) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is methyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate
PubChem CID51681559
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Namemethyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H17ClN2O3/c1-8(2)6-10(13(18)19-3)16-12(17)9-4-5-11(14)15-7-9/h4-5,7-8,10H,6H2,1-3H3,(H,16,17)/t10-/m1/s1
InChIKeyVMASXKWYESWHTG-SNVBAGLBSA-N
XLogP2.05
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-chloro-3-pyridinyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 43049522
methyl 2-[(4-fluorobenzoyl)amino]-4-methylpentanoate
CID 2915918
methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate
CID 3376404
methyl 2-[(4-iodobenzoyl)amino]-4-methylpentanoate
CID 43404335
6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 28880213
methyl (2R)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798268
N-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide
CID 115664808
methyl (2S)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798267
methyl (2R)-2-[(4-acetyloxybenzoyl)amino]-4-methylpentanoate
CID 1121981
methyl (2S)-4-methyl-2-[(4-methylsulfonylbenzoyl)amino]pentanoate
CID 2532850
4-amino-2-[(6-chloropyridine-3-carbonyl)amino]-4-oxobutanoic acid
CID 43240154
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate
CID 60565397

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate?
The IUPAC name of methyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate (CID 51681559) is methyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate is COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)nc1.
What is the InChIKey of methyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate?
The InChIKey is VMASXKWYESWHTG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-8(2)6-10(13(18)19-3)16-12(17)9-4-5-11(14)15-7-9/h4-5,7-8,10H,6H2,1-3H3,(H,16,17)/t10-/m1/s1.
What are the key properties of methyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate?
methyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate has a molecular weight of 284.74 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate is sourced from PubChem (CID 51681559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).