(2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid

C11H15N3O4 — CID 107562869

IUPAC(2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1ccc(=O)n(C)n1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-3-4-8(11(17)18)12-10(16)7-5-6-9(15)14(2)13-7/h5-6,8H,3-4H2,1-2H3,(H,12,16)(H,17,18)/t8-/m1/s1
InChIKeyYERUCUUAXYSLLX-MRVPVSSYSA-N
MW253.26 g/mol
LogP-0.24
Rot. Bonds5

About (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid

(2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid (PubChem CID 107562869) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
PubChem CID107562869
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name(2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1ccc(=O)n(C)n1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-3-4-8(11(17)18)12-10(16)7-5-6-9(15)14(2)13-7/h5-6,8H,3-4H2,1-2H3,(H,12,16)(H,17,18)/t8-/m1/s1
InChIKeyYERUCUUAXYSLLX-MRVPVSSYSA-N
XLogP-0.24
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43630891
4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 43091764
(2S)-4-amino-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-4-oxobutanoic acid
CID 61142499
2-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]pentanoic acid
CID 120534639
(2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 61151604
(2R)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 80750921
2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid
CID 65219750
N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185
N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 81041108
(2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 107562752
3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 81077374
2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 43631097

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid (CID 107562869) is (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid is CCC[C@@H](NC(=O)c1ccc(=O)n(C)n1)C(=O)O.
What is the InChIKey of (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid?
The InChIKey is YERUCUUAXYSLLX-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-4-8(11(17)18)12-10(16)7-5-6-9(15)14(2)13-7/h5-6,8H,3-4H2,1-2H3,(H,12,16)(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid?
(2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107562869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).