(2R)-3,3-dimethyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid

C12H19N3O4 — CID 93054890

IUPAC(2R)-3,3-dimethyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
SMILESCN1N=C(C(=O)N[C@@H](C(=O)O)C(C)(C)C)CCC1=O
InChIInChI=1S/C12H19N3O4/c1-12(2,3)9(11(18)19)13-10(17)7-5-6-8(16)15(4)14-7/h9H,5-6H2,1-4H3,(H,13,17)(H,18,19)/t9-/m0/s1
InChIKeyTYISNMBYHNZOKY-VIFPVBQESA-N
MW269.30 g/mol
LogP0.21
Rot. Bonds3

About (2R)-3,3-dimethyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid

(2R)-3,3-dimethyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid (PubChem CID 93054890) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
PubChem CID93054890
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name(2R)-3,3-dimethyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
SMILESCN1N=C(C(=O)N[C@@H](C(=O)O)C(C)(C)C)CCC1=O
InChIInChI=1S/C12H19N3O4/c1-12(2,3)9(11(18)19)13-10(17)7-5-6-8(16)15(4)14-7/h9H,5-6H2,1-4H3,(H,13,17)(H,18,19)/t9-/m0/s1
InChIKeyTYISNMBYHNZOKY-VIFPVBQESA-N
XLogP0.21
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-3,3-dimethyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
CID 61131453
(2S)-3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
CID 61152190
4-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
CID 61243686
(2R)-4-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
CID 114004932
(2R)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-phenylacetic acid
CID 61143499
2-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
CID 79793544
5-amino-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-5-oxopentanoic acid
CID 43171957
5-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid
CID 82854892
3-cyclopropyl-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
CID 81362997
4-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid
CID 62042860
2-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
CID 80539041
1-methyl-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide
CID 47014189

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-3,3-dimethyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid (CID 93054890) is (2R)-3,3-dimethyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-3,3-dimethyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-3,3-dimethyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid is CN1N=C(C(=O)N[C@@H](C(=O)O)C(C)(C)C)CCC1=O.
What is the InChIKey of (2R)-3,3-dimethyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
The InChIKey is TYISNMBYHNZOKY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O4/c1-12(2,3)9(11(18)19)13-10(17)7-5-6-8(16)15(4)14-7/h9H,5-6H2,1-4H3,(H,13,17)(H,18,19)/t9-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
(2R)-3,3-dimethyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid has a molecular weight of 269.30 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 93054890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).