4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid

C12H14N2O5 — CID 115730889

IUPAC4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CCOCC2C(=O)O)c(=O)[nH]1
InChIInChI=1S/C12H14N2O5/c1-7-2-3-8(10(15)13-7)11(16)14-4-5-19-6-9(14)12(17)18/h2-3,9H,4-6H2,1H3,(H,13,15)(H,17,18)
InChIKeyMQJYXSVHWNCLLA-UHFFFAOYSA-N
MW266.25 g/mol
LogP-0.39
Rot. Bonds2

About 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid

4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid (PubChem CID 115730889) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid
PubChem CID115730889
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CCOCC2C(=O)O)c(=O)[nH]1
InChIInChI=1S/C12H14N2O5/c1-7-2-3-8(10(15)13-7)11(16)14-4-5-19-6-9(14)12(17)18/h2-3,9H,4-6H2,1H3,(H,13,15)(H,17,18)
InChIKeyMQJYXSVHWNCLLA-UHFFFAOYSA-N
XLogP-0.39
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid
CID 124513696
(2S,4S)-4-hydroxy-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 104772709
3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104772644
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
4-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-3-carboxylic acid
CID 136551289
(3S)-4-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]morpholine-3-carboxylic acid
CID 125133041
4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid
CID 113439193
(3S)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholine-3-carboxylic acid
CID 125118663
(3S)-4-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl]morpholine-3-carboxylic acid
CID 125133068
(3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513592
(3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid
CID 125151027
4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 114036870

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid (CID 115730889) is 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid is Cc1ccc(C(=O)N2CCOCC2C(=O)O)c(=O)[nH]1.
What is the InChIKey of 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is MQJYXSVHWNCLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-7-2-3-8(10(15)13-7)11(16)14-4-5-19-6-9(14)12(17)18/h2-3,9H,4-6H2,1H3,(H,13,15)(H,17,18).
What are the key properties of 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid?
4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 266.25 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 115730889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).