2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]pentanoic acid

C12H17N3O4 — CID 43630854

IUPAC2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1c(C)c(C)n[nH]c1=O)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-4-5-8(12(18)19)13-10(16)9-6(2)7(3)14-15-11(9)17/h8H,4-5H2,1-3H3,(H,13,16)(H,15,17)(H,18,19)
InChIKeyGMTNRUXMOBTGHU-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.37
Rot. Bonds5

About 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]pentanoic acid

2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]pentanoic acid (PubChem CID 43630854) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]pentanoic acid
PubChem CID43630854
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1c(C)c(C)n[nH]c1=O)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-4-5-8(12(18)19)13-10(16)9-6(2)7(3)14-15-11(9)17/h8H,4-5H2,1-3H3,(H,13,16)(H,15,17)(H,18,19)
InChIKeyGMTNRUXMOBTGHU-UHFFFAOYSA-N
XLogP0.37
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357881
2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-5-methoxypentanoic acid
CID 81085336
(2S)-4-amino-2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-4-oxobutanoic acid
CID 63715213
2-[(2,3,4,5,6-pentamethylbenzoyl)amino]pentanoic acid
CID 43630457
N-(2-hydroxypentyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 115700686
N-(1-hydroxy-4-methylpentan-3-yl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 103782323
(2S)-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]pentanoic acid
CID 107564057
N-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 103944574
(2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820399
(2R)-4-hydroxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
CID 107822795
2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid
CID 63654513
N-(2-hydroxy-3-methylbutyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 113258899

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]pentanoic acid (CID 43630854) is 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]pentanoic acid is CCCC(NC(=O)c1c(C)c(C)n[nH]c1=O)C(=O)O.
What is the InChIKey of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]pentanoic acid?
The InChIKey is GMTNRUXMOBTGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-4-5-8(12(18)19)13-10(16)9-6(2)7(3)14-15-11(9)17/h8H,4-5H2,1-3H3,(H,13,16)(H,15,17)(H,18,19).
What are the key properties of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]pentanoic acid?
2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]pentanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43630854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).