(2R)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid

C13H17N3O5 — CID 107820929

IUPAC(2R)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)c1cc(C)nnc1C)C(=O)O
InChIInChI=1S/C13H17N3O5/c1-7-6-9(8(2)16-15-7)12(18)14-10(13(19)20)4-5-11(17)21-3/h6,10H,4-5H2,1-3H3,(H,14,18)(H,19,20)/t10-/m1/s1
InChIKeyBRNZTWKXCOVZJS-SNVBAGLBSA-N
MW295.30 g/mol
LogP0.23
Rot. Bonds6

About (2R)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid

(2R)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 107820929) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is (2R)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
PubChem CID107820929
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name(2R)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)c1cc(C)nnc1C)C(=O)O
InChIInChI=1S/C13H17N3O5/c1-7-6-9(8(2)16-15-7)12(18)14-10(13(19)20)4-5-11(17)21-3/h6,10H,4-5H2,1-3H3,(H,14,18)(H,19,20)/t10-/m1/s1
InChIKeyBRNZTWKXCOVZJS-SNVBAGLBSA-N
XLogP0.23
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-5-methoxy-2-[(2-methylpyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820710
2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780822
(2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820629
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780387
5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 82786221
5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
CID 82786310
(2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820728
(2R)-2-[(2,4-dihydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820519
2-[(2,4-dichlorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780716
(2S)-5-methoxy-2-[(4-methylthiadiazole-5-carbonyl)amino]-5-oxopentanoic acid
CID 107820329
methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate
CID 104671773
2-[(2-chlorofuran-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 106683604

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid (CID 107820929) is (2R)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)c1cc(C)nnc1C)C(=O)O.
What is the InChIKey of (2R)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is BRNZTWKXCOVZJS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-7-6-9(8(2)16-15-7)12(18)14-10(13(19)20)4-5-11(17)21-3/h6,10H,4-5H2,1-3H3,(H,14,18)(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid?
(2R)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 295.30 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107820929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).