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

C10H13N3O5 — CID 43357881

IUPAC2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCc1n[nH]c(=O)c(C(=O)NC(CO)C(=O)O)c1C
InChIInChI=1S/C10H13N3O5/c1-4-5(2)12-13-9(16)7(4)8(15)11-6(3-14)10(17)18/h6,14H,3H2,1-2H3,(H,11,15)(H,13,16)(H,17,18)
InChIKeyZQKNAEFBVIMHFM-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.44
Rot. Bonds4

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

2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 43357881) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-hydroxypropanoic acid
PubChem CID43357881
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCc1n[nH]c(=O)c(C(=O)NC(CO)C(=O)O)c1C
InChIInChI=1S/C10H13N3O5/c1-4-5(2)12-13-9(16)7(4)8(15)11-6(3-14)10(17)18/h6,14H,3H2,1-2H3,(H,11,15)(H,13,16)(H,17,18)
InChIKeyZQKNAEFBVIMHFM-UHFFFAOYSA-N
XLogP-1.44
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]pentanoic acid
CID 43630854
(2S)-4-amino-2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-4-oxobutanoic acid
CID 63715213
2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-5-methoxypentanoic acid
CID 81085336
N-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 103944574
N-(1-hydroxy-4-methylpentan-3-yl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 103782323
(2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 80749718
3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methoxypropanoic acid
CID 106107384
N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 43428095
(2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid
CID 114004747
N-(2-hydroxy-3-methylbutyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 113258899
(2S)-2-[(5-bromo-2,4-dimethylfuran-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 166307721
N-(2-hydroxypentyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 115700686

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-hydroxypropanoic acid (CID 43357881) is 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-hydroxypropanoic acid is Cc1n[nH]c(=O)c(C(=O)NC(CO)C(=O)O)c1C.
What is the InChIKey of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is ZQKNAEFBVIMHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-4-5(2)12-13-9(16)7(4)8(15)11-6(3-14)10(17)18/h6,14H,3H2,1-2H3,(H,11,15)(H,13,16)(H,17,18).
What are the key properties of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-hydroxypropanoic acid?
2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-hydroxypropanoic acid has a molecular weight of 255.23 g/mol, XLogP of -1.44, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 43357881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).