2-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid

C14H21N3O4 — CID 43618915

IUPAC2-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
SMILESCCCn1nc(C(=O)NC(C)(CCC)C(=O)O)ccc1=O
InChIInChI=1S/C14H21N3O4/c1-4-8-14(3,13(20)21)15-12(19)10-6-7-11(18)17(16-10)9-5-2/h6-7H,4-5,8-9H2,1-3H3,(H,15,19)(H,20,21)
InChIKeyBHLJJOVBONMSAI-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.03
Rot. Bonds7

About 2-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid

2-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid (PubChem CID 43618915) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
PubChem CID43618915
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
SMILESCCCn1nc(C(=O)NC(C)(CCC)C(=O)O)ccc1=O
InChIInChI=1S/C14H21N3O4/c1-4-8-14(3,13(20)21)15-12(19)10-6-7-11(18)17(16-10)9-5-2/h6-7H,4-5,8-9H2,1-3H3,(H,15,19)(H,20,21)
InChIKeyBHLJJOVBONMSAI-UHFFFAOYSA-N
XLogP1.03
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79789283
(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 43355382
N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62521741
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65109487
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43630891
(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-methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 62818484
3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 81077374
N-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 79253183

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid (CID 43618915) is 2-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid is CCCn1nc(C(=O)NC(C)(CCC)C(=O)O)ccc1=O.
What is the InChIKey of 2-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid?
The InChIKey is BHLJJOVBONMSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-4-8-14(3,13(20)21)15-12(19)10-6-7-11(18)17(16-10)9-5-2/h6-7H,4-5,8-9H2,1-3H3,(H,15,19)(H,20,21).
What are the key properties of 2-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid?
2-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43618915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).