3-(2-chlorophenyl)-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid

C14H14ClN3O4 — CID 51078597

IUPAC3-(2-chlorophenyl)-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CC(NC(=O)C1=NNC(=O)CC1)c1ccccc1Cl
InChIInChI=1S/C14H14ClN3O4/c15-9-4-2-1-3-8(9)11(7-13(20)21)16-14(22)10-5-6-12(19)18-17-10/h1-4,11H,5-7H2,(H,16,22)(H,18,19)(H,20,21)
InChIKeyMBDPPUBAQKSPTQ-UHFFFAOYSA-N
MW323.74 g/mol
LogP1.24
Rot. Bonds5

About 3-(2-chlorophenyl)-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid

3-(2-chlorophenyl)-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid (PubChem CID 51078597) has the molecular formula C14H14ClN3O4 and a molecular weight of 323.74 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
PubChem CID51078597
Molecular FormulaC14H14ClN3O4
Molecular Weight323.74 g/mol
Exact Mass323.07
IUPAC Name3-(2-chlorophenyl)-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CC(NC(=O)C1=NNC(=O)CC1)c1ccccc1Cl
InChIInChI=1S/C14H14ClN3O4/c15-9-4-2-1-3-8(9)11(7-13(20)21)16-14(22)10-5-6-12(19)18-17-10/h1-4,11H,5-7H2,(H,16,22)(H,18,19)(H,20,21)
InChIKeyMBDPPUBAQKSPTQ-UHFFFAOYSA-N
XLogP1.24
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 43351344
(3S)-3-(2-chlorophenyl)-3-(pyridine-2-carbonylamino)propanoic acid
CID 125467429
[(1S)-1-(2-chlorophenyl)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7211452
(3S)-3-(2-chlorophenyl)-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid
CID 94022754
3-(2-chlorophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 45430554
(3S)-3-(2-chlorophenyl)-3-(pyrazine-2-carbonylamino)propanoic acid
CID 94182414
(3S)-3-(2-chlorophenyl)-3-[(1-ethyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid
CID 95770938
(3S)-3-(2-chlorophenyl)-3-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonylamino)propanoic acid
CID 176730473
(3R)-3-(2-chlorophenyl)-3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid
CID 97215063
(3R)-3-(2-chlorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid
CID 124736619
2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid
CID 63747208
3-(2-chlorophenyl)-3-[[2-(2,2-dimethylpropanoylamino)pyridine-4-carbonyl]amino]propanoic acid
CID 142770067

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(2-chlorophenyl)-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid (CID 51078597) is 3-(2-chlorophenyl)-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(2-chlorophenyl)-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid is O=C(O)CC(NC(=O)C1=NNC(=O)CC1)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid?
The InChIKey is MBDPPUBAQKSPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O4/c15-9-4-2-1-3-8(9)11(7-13(20)21)16-14(22)10-5-6-12(19)18-17-10/h1-4,11H,5-7H2,(H,16,22)(H,18,19)(H,20,21).
What are the key properties of 3-(2-chlorophenyl)-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid?
3-(2-chlorophenyl)-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid has a molecular weight of 323.74 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 51078597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).