methyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate

C16H17N3O4 — CID 91901510

IUPACmethyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C16H17N3O4/c1-11(16(22)23-2)17-14(20)10-19-15(21)9-8-13(18-19)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,17,20)/t11-/m0/s1
InChIKeyUSHMHJXQIQYLRB-NSHDSACASA-N
MW315.33 g/mol
LogP0.59
Rot. Bonds5

About methyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate

methyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate (PubChem CID 91901510) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate
PubChem CID91901510
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Namemethyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C16H17N3O4/c1-11(16(22)23-2)17-14(20)10-19-15(21)9-8-13(18-19)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,17,20)/t11-/m0/s1
InChIKeyUSHMHJXQIQYLRB-NSHDSACASA-N
XLogP0.59
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate with MolForge

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Related Compounds

methyl 2-[[2-(5-methyl-3-phenylpyrazol-1-yl)acetyl]amino]propanoate
CID 70669546
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
3-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]butanoic acid
CID 56922525
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 124854962
N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 111429019
N-(3-oxo-1-phenylbutan-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 75479453
N-[1-(4-ethylphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 47051909
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 124615249
(2S)-4-methylsulfanyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]butanoic acid
CID 51048855
methyl (2S)-2-[[2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate
CID 91639933
methyl 2-[[2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate
CID 91821632
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate (CID 91901510) is methyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate is COC(=O)[C@H](C)NC(=O)Cn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of methyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate?
The InChIKey is USHMHJXQIQYLRB-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N3O4/c1-11(16(22)23-2)17-14(20)10-19-15(21)9-8-13(18-19)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,17,20)/t11-/m0/s1.
What are the key properties of methyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate?
methyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate has a molecular weight of 315.33 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate is sourced from PubChem (CID 91901510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).