(6R)-6-methyl-4-(2-methyl-5-nitropyridine-3-carbonyl)morpholine-2-carboxylic acid

C13H15N3O6 — CID 120535983

IUPAC(6R)-6-methyl-4-(2-methyl-5-nitropyridine-3-carbonyl)morpholine-2-carboxylic acid
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)N1CC(C(=O)O)O[C@H](C)C1
InChIInChI=1S/C13H15N3O6/c1-7-5-15(6-11(22-7)13(18)19)12(17)10-3-9(16(20)21)4-14-8(10)2/h3-4,7,11H,5-6H2,1-2H3,(H,18,19)/t7-,11?/m1/s1
InChIKeyAAJLBAPABPUBFJ-DKSCNQEISA-N
MW309.28 g/mol
LogP0.61
Rot. Bonds3

About (6R)-6-methyl-4-(2-methyl-5-nitropyridine-3-carbonyl)morpholine-2-carboxylic acid

(6R)-6-methyl-4-(2-methyl-5-nitropyridine-3-carbonyl)morpholine-2-carboxylic acid (PubChem CID 120535983) has the molecular formula C13H15N3O6 and a molecular weight of 309.28 g/mol. Its IUPAC name is (6R)-6-methyl-4-(2-methyl-5-nitropyridine-3-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-6-methyl-4-(2-methyl-5-nitropyridine-3-carbonyl)morpholine-2-carboxylic acid
PubChem CID120535983
Molecular FormulaC13H15N3O6
Molecular Weight309.28 g/mol
Exact Mass309.10
IUPAC Name(6R)-6-methyl-4-(2-methyl-5-nitropyridine-3-carbonyl)morpholine-2-carboxylic acid
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)N1CC(C(=O)O)O[C@H](C)C1
InChIInChI=1S/C13H15N3O6/c1-7-5-15(6-11(22-7)13(18)19)12(17)10-3-9(16(20)21)4-14-8(10)2/h3-4,7,11H,5-6H2,1-2H3,(H,18,19)/t7-,11?/m1/s1
InChIKeyAAJLBAPABPUBFJ-DKSCNQEISA-N
XLogP0.61
TPSA122.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-methyl-5-nitro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 47127870
[3-(hydroxymethyl)piperidin-1-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 110886862
(2-amino-5-nitrophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104890954
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 120816896
(2,3-dichloro-5-nitrophenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 107189596
(2-methyl-5-nitro-3-pyridinyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994943
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3,5-dinitrophenyl)methanone
CID 2247674
2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]cyclooctane-1-carboxylic acid
CID 120532905
(6R)-4-[2-(2-chloro-4-nitrophenyl)acetyl]-6-methylmorpholine-2-carboxylic acid
CID 120536229
[2-(2-chlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 155946085
[2-(2,3-dichlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 155969974
[2-(3-fluorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 155945273

Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-4-(2-methyl-5-nitropyridine-3-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of (6R)-6-methyl-4-(2-methyl-5-nitropyridine-3-carbonyl)morpholine-2-carboxylic acid (CID 120535983) is (6R)-6-methyl-4-(2-methyl-5-nitropyridine-3-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (6R)-6-methyl-4-(2-methyl-5-nitropyridine-3-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for (6R)-6-methyl-4-(2-methyl-5-nitropyridine-3-carbonyl)morpholine-2-carboxylic acid is Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(C(=O)O)O[C@H](C)C1.
What is the InChIKey of (6R)-6-methyl-4-(2-methyl-5-nitropyridine-3-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is AAJLBAPABPUBFJ-DKSCNQEISA-N. The full InChI is InChI=1S/C13H15N3O6/c1-7-5-15(6-11(22-7)13(18)19)12(17)10-3-9(16(20)21)4-14-8(10)2/h3-4,7,11H,5-6H2,1-2H3,(H,18,19)/t7-,11?/m1/s1.
What are the key properties of (6R)-6-methyl-4-(2-methyl-5-nitropyridine-3-carbonyl)morpholine-2-carboxylic acid?
(6R)-6-methyl-4-(2-methyl-5-nitropyridine-3-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 309.28 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-4-(2-methyl-5-nitropyridine-3-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 120535983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).