2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid

C16H17N3O4 — CID 119205689

IUPAC2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C16H17N3O4/c1-2-18(11-16(22)23)15(21)10-19-14(20)9-8-13(17-19)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,22,23)
InChIKeyCRTBLUDHHFXPFR-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.84
Rot. Bonds6

About 2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid

2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid (PubChem CID 119205689) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid
PubChem CID119205689
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C16H17N3O4/c1-2-18(11-16(22)23)15(21)10-19-14(20)9-8-13(17-19)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,22,23)
InChIKeyCRTBLUDHHFXPFR-UHFFFAOYSA-N
XLogP0.84
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 121050082
N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 46923334
N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050602
N,N-diethyl-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]-1,4-diazepan-1-yl]acetamide
CID 55831073
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050637
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid
CID 4086163
N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 126782676
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
N-ethyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)acetamide
CID 121051529

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid (CID 119205689) is 2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid is CCN(CC(=O)O)C(=O)Cn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of 2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid?
The InChIKey is CRTBLUDHHFXPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-2-18(11-16(22)23)15(21)10-19-14(20)9-8-13(17-19)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,22,23).
What are the key properties of 2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid?
2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid has a molecular weight of 315.33 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 119205689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).