2-amino-3-[4-(ethylcarbamoyl)pyridazin-1-ium-1-yl]propanoic acid

C10H15N4O3+ — CID 146572031

IUPAC2-amino-3-[4-(ethylcarbamoyl)pyridazin-1-ium-1-yl]propanoic acid
SMILESCCNC(=O)c1cc[n+](CC(N)C(=O)O)nc1
InChIInChI=1S/C10H14N4O3/c1-2-12-9(15)7-3-4-14(13-5-7)6-8(11)10(16)17/h3-5,8H,2,6,11H2,1H3,(H-,12,15,16,17)/p+1
InChIKeyNFMQCAPNDXPXTG-UHFFFAOYSA-O
MW239.26 g/mol
LogP-1.47
Rot. Bonds5

About 2-amino-3-[4-(ethylcarbamoyl)pyridazin-1-ium-1-yl]propanoic acid

2-amino-3-[4-(ethylcarbamoyl)pyridazin-1-ium-1-yl]propanoic acid (PubChem CID 146572031) has the molecular formula C10H15N4O3+ and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-amino-3-[4-(ethylcarbamoyl)pyridazin-1-ium-1-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-(ethylcarbamoyl)pyridazin-1-ium-1-yl]propanoic acid
PubChem CID146572031
Molecular FormulaC10H15N4O3+
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name2-amino-3-[4-(ethylcarbamoyl)pyridazin-1-ium-1-yl]propanoic acid
SMILESCCNC(=O)c1cc[n+](CC(N)C(=O)O)nc1
InChIInChI=1S/C10H14N4O3/c1-2-12-9(15)7-3-4-14(13-5-7)6-8(11)10(16)17/h3-5,8H,2,6,11H2,1H3,(H-,12,15,16,17)/p+1
InChIKeyNFMQCAPNDXPXTG-UHFFFAOYSA-O
XLogP-1.47
TPSA109.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-amino-3-[4-(ethylcarbamoyl)pyridazin-1-ium-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(ethylcarbamoyl)pyridazin-1-ium-1-yl]-2,2-dimethylpropanoic acid
CID 147982171
(2S)-3-[4-(ethylcarbamoyl)pyridazin-1-ium-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 163729329
3-[4-(ethylcarbamoyl)pyridazin-1-ium-1-yl]propanoic acid;2,2,2-trifluoroacetic acid
CID 163979623
N-ethyl-1-[2-(trifluoromethylsulfonylamino)ethyl]pyridazin-1-ium-4-carboxamide
CID 146616537
2-[4-(ethylcarbamoyl)pyridazin-1-ium-1-yl]ethylphosphonic acid;2,2,2-trifluoroacetate
CID 163568837
3-[4-(3-oxobutylcarbamoyl)pyridazin-1-ium-1-yl]propanoic acid
CID 146616223
6-amino-N-ethylpyridine-3-carboxamide
CID 62073744
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
N-ethylbenzamide
CID 160772566
3-[4-(acetamidocarbamoyl)pyridazin-1-ium-1-yl]propanoic acid
CID 146615835
N-ethyl-6-hydrazinylpyridine-3-carboxamide
CID 20734038
N-ethylbenzamide;hydrochloride
CID 57444995

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(ethylcarbamoyl)pyridazin-1-ium-1-yl]propanoic acid?
The IUPAC name of 2-amino-3-[4-(ethylcarbamoyl)pyridazin-1-ium-1-yl]propanoic acid (CID 146572031) is 2-amino-3-[4-(ethylcarbamoyl)pyridazin-1-ium-1-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-(ethylcarbamoyl)pyridazin-1-ium-1-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-(ethylcarbamoyl)pyridazin-1-ium-1-yl]propanoic acid is CCNC(=O)c1cc[n+](CC(N)C(=O)O)nc1.
What is the InChIKey of 2-amino-3-[4-(ethylcarbamoyl)pyridazin-1-ium-1-yl]propanoic acid?
The InChIKey is NFMQCAPNDXPXTG-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14N4O3/c1-2-12-9(15)7-3-4-14(13-5-7)6-8(11)10(16)17/h3-5,8H,2,6,11H2,1H3,(H-,12,15,16,17)/p+1.
What are the key properties of 2-amino-3-[4-(ethylcarbamoyl)pyridazin-1-ium-1-yl]propanoic acid?
2-amino-3-[4-(ethylcarbamoyl)pyridazin-1-ium-1-yl]propanoic acid has a molecular weight of 239.26 g/mol, XLogP of -1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(ethylcarbamoyl)pyridazin-1-ium-1-yl]propanoic acid is sourced from PubChem (CID 146572031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).