2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)morpholin-2-yl]acetic acid

C12H17N3O5 — CID 66421367

IUPAC2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)morpholin-2-yl]acetic acid
SMILESCN1N=C(C(=O)N2CCOC(CC(=O)O)C2)CCC1=O
InChIInChI=1S/C12H17N3O5/c1-14-10(16)3-2-9(13-14)12(19)15-4-5-20-8(7-15)6-11(17)18/h8H,2-7H2,1H3,(H,17,18)
InChIKeyMKWMTVLKTQTCNY-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.70
Rot. Bonds3

About 2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)morpholin-2-yl]acetic acid

2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 66421367) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)morpholin-2-yl]acetic acid
PubChem CID66421367
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)morpholin-2-yl]acetic acid
SMILESCN1N=C(C(=O)N2CCOC(CC(=O)O)C2)CCC1=O
InChIInChI=1S/C12H17N3O5/c1-14-10(16)3-2-9(13-14)12(19)15-4-5-20-8(7-15)6-11(17)18/h8H,2-7H2,1H3,(H,17,18)
InChIKeyMKWMTVLKTQTCNY-UHFFFAOYSA-N
XLogP-0.70
TPSA99.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)morpholine-2-carboxylic acid
CID 129366643
2-[4-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]morpholin-2-yl]acetic acid
CID 119248171
6-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 115746625
2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66434765
2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421729
2-[(2S)-4-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124684475
2-[(2S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 124515375
2-[4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 120527656
2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 66420176
2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 102810250
2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421949
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)morpholin-2-yl]acetic acid (CID 66421367) is 2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)morpholin-2-yl]acetic acid is CN1N=C(C(=O)N2CCOC(CC(=O)O)C2)CCC1=O.
What is the InChIKey of 2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is MKWMTVLKTQTCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-14-10(16)3-2-9(13-14)12(19)15-4-5-20-8(7-15)6-11(17)18/h8H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 283.28 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66421367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).