(2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic acid

C9H11N3O4 — CID 107834971

IUPAC(2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic acid
SMILESO=C(NCC[C@H](O)C(=O)O)c1ccnnc1
InChIInChI=1S/C9H11N3O4/c13-7(9(15)16)2-3-10-8(14)6-1-4-11-12-5-6/h1,4-5,7,13H,2-3H2,(H,10,14)(H,15,16)/t7-/m0/s1
InChIKeyIMPJKFWDNODRMP-ZETCQYMHSA-N
MW225.20 g/mol
LogP-0.96
Rot. Bonds5

About (2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic acid

(2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic acid (PubChem CID 107834971) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic acid
PubChem CID107834971
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name(2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic acid
SMILESO=C(NCC[C@H](O)C(=O)O)c1ccnnc1
InChIInChI=1S/C9H11N3O4/c13-7(9(15)16)2-3-10-8(14)6-1-4-11-12-5-6/h1,4-5,7,13H,2-3H2,(H,10,14)(H,15,16)/t7-/m0/s1
InChIKeyIMPJKFWDNODRMP-ZETCQYMHSA-N
XLogP-0.96
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic 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

(2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid
CID 107834157
N-(3-amino-2-hydroxy-3-oxopropyl)pyridazine-4-carboxamide
CID 106164807
N-(4-hydroxybutyl)pyridazine-4-carboxamide
CID 106843632
4-[(4-carbamoylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107832721
N-(2-methoxyethyl)pyridazine-4-carboxamide
CID 143705997
6-(pyridazine-4-carbonylamino)hexanoic acid
CID 112555129
N-[3-(furan-2-yl)-3-phenylpropyl]pyridazine-4-carboxamide
CID 45249743
(2S)-4-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 114006582
3-methyl-2-[(pyridazine-4-carbonylamino)methyl]butanoic acid
CID 104669732
2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid
CID 107832176
(2S)-2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid
CID 107834372
4-[[4-(aminomethyl)benzoyl]amino]-2-hydroxybutanoic acid
CID 107836274

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic acid (CID 107834971) is (2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic acid is O=C(NCC[C@H](O)C(=O)O)c1ccnnc1.
What is the InChIKey of (2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic acid?
The InChIKey is IMPJKFWDNODRMP-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11N3O4/c13-7(9(15)16)2-3-10-8(14)6-1-4-11-12-5-6/h1,4-5,7,13H,2-3H2,(H,10,14)(H,15,16)/t7-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic acid?
(2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic acid has a molecular weight of 225.20 g/mol, XLogP of -0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic acid is sourced from PubChem (CID 107834971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).