(2R)-3-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid

C10H13N3O4 — CID 39261499

IUPAC(2R)-3-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccc(=O)[nH]n1)C(=O)O
InChIInChI=1S/C10H13N3O4/c1-5(2)8(10(16)17)11-9(15)6-3-4-7(14)13-12-6/h3-5,8H,1-2H3,(H,11,15)(H,13,14)(H,16,17)/t8-/m1/s1
InChIKeyFWHXUUMEEHEVBM-MRVPVSSYSA-N
MW239.23 g/mol
LogP-0.39
Rot. Bonds4

About (2R)-3-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid

(2R)-3-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid (PubChem CID 39261499) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid
PubChem CID39261499
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name(2R)-3-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccc(=O)[nH]n1)C(=O)O
InChIInChI=1S/C10H13N3O4/c1-5(2)8(10(16)17)11-9(15)6-3-4-7(14)13-12-6/h3-5,8H,1-2H3,(H,11,15)(H,13,14)(H,16,17)/t8-/m1/s1
InChIKeyFWHXUUMEEHEVBM-MRVPVSSYSA-N
XLogP-0.39
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid (CID 39261499) is (2R)-3-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid is CC(C)[C@@H](NC(=O)c1ccc(=O)[nH]n1)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The InChIKey is FWHXUUMEEHEVBM-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-5(2)8(10(16)17)11-9(15)6-3-4-7(14)13-12-6/h3-5,8H,1-2H3,(H,11,15)(H,13,14)(H,16,17)/t8-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid?
(2R)-3-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid has a molecular weight of 239.23 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 39261499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).