(3S,5S)-5-methyl-4-(pyridine-2-carbonyl)morpholine-3-carboxylic acid

C12H14N2O4 — CID 122155565

IUPAC(3S,5S)-5-methyl-4-(pyridine-2-carbonyl)morpholine-3-carboxylic acid
SMILESC[C@H]1COC[C@@H](C(=O)O)N1C(=O)c1ccccn1
InChIInChI=1S/C12H14N2O4/c1-8-6-18-7-10(12(16)17)14(8)11(15)9-4-2-3-5-13-9/h2-5,8,10H,6-7H2,1H3,(H,16,17)/t8-,10-/m0/s1
InChIKeyFYDIXBAGNDICPG-WPRPVWTQSA-N
MW250.25 g/mol
LogP0.40
Rot. Bonds2

About (3S,5S)-5-methyl-4-(pyridine-2-carbonyl)morpholine-3-carboxylic acid

(3S,5S)-5-methyl-4-(pyridine-2-carbonyl)morpholine-3-carboxylic acid (PubChem CID 122155565) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is (3S,5S)-5-methyl-4-(pyridine-2-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,5S)-5-methyl-4-(pyridine-2-carbonyl)morpholine-3-carboxylic acid
PubChem CID122155565
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name(3S,5S)-5-methyl-4-(pyridine-2-carbonyl)morpholine-3-carboxylic acid
SMILESC[C@H]1COC[C@@H](C(=O)O)N1C(=O)c1ccccn1
InChIInChI=1S/C12H14N2O4/c1-8-6-18-7-10(12(16)17)14(8)11(15)9-4-2-3-5-13-9/h2-5,8,10H,6-7H2,1H3,(H,16,17)/t8-,10-/m0/s1
InChIKeyFYDIXBAGNDICPG-WPRPVWTQSA-N
XLogP0.40
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 63911767
(3S,5S)-4-[4-(benzimidazol-1-yl)benzoyl]-5-methylmorpholine-3-carboxylic acid
CID 167833350
[(5R)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone
CID 176763799
pyridin-2-yl-(2,5,5-trimethylpiperazin-1-yl)methanone
CID 82243120
(3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110662556
[4-(dimethylamino)-2-pyridinyl]-[(3S,5R)-3,5-dimethylmorpholin-4-yl]methanone
CID 99604346
(2R,4R)-4-fluoro-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 71256287
1-(pyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64559743
(3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110741099
gadolinium;pyridine-2-carboxylic acid
CID 175231422
(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride
CID 119564691
europium;pyridine-2-carboxylic acid
CID 174808227

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-methyl-4-(pyridine-2-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of (3S,5S)-5-methyl-4-(pyridine-2-carbonyl)morpholine-3-carboxylic acid (CID 122155565) is (3S,5S)-5-methyl-4-(pyridine-2-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for (3S,5S)-5-methyl-4-(pyridine-2-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for (3S,5S)-5-methyl-4-(pyridine-2-carbonyl)morpholine-3-carboxylic acid is C[C@H]1COC[C@@H](C(=O)O)N1C(=O)c1ccccn1.
What is the InChIKey of (3S,5S)-5-methyl-4-(pyridine-2-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is FYDIXBAGNDICPG-WPRPVWTQSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-8-6-18-7-10(12(16)17)14(8)11(15)9-4-2-3-5-13-9/h2-5,8,10H,6-7H2,1H3,(H,16,17)/t8-,10-/m0/s1.
What are the key properties of (3S,5S)-5-methyl-4-(pyridine-2-carbonyl)morpholine-3-carboxylic acid?
(3S,5S)-5-methyl-4-(pyridine-2-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-methyl-4-(pyridine-2-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 122155565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).