(2S,3R)-3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid

C9H13N3O5 — CID 104964357

IUPAC(2S,3R)-3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)C1=NNC(=O)CC1)C(=O)O
InChIInChI=1S/C9H13N3O5/c1-4(13)7(9(16)17)10-8(15)5-2-3-6(14)12-11-5/h4,7,13H,2-3H2,1H3,(H,10,15)(H,12,14)(H,16,17)/t4-,7+/m1/s1
InChIKeySGWZNKKIDTYEOO-FBCQKBJTSA-N
MW243.22 g/mol
LogP-1.80
Rot. Bonds4

About (2S,3R)-3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid

(2S,3R)-3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid (PubChem CID 104964357) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
PubChem CID104964357
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC Name(2S,3R)-3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)C1=NNC(=O)CC1)C(=O)O
InChIInChI=1S/C9H13N3O5/c1-4(13)7(9(16)17)10-8(15)5-2-3-6(14)12-11-5/h4,7,13H,2-3H2,1H3,(H,10,15)(H,12,14)(H,16,17)/t4-,7+/m1/s1
InChIKeySGWZNKKIDTYEOO-FBCQKBJTSA-N
XLogP-1.80
TPSA128.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (2R)-3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate
CID 80997639
N-heptan-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43398155
N-[4-(dimethylamino)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 54968046
2-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116681223
N-[1-(2,5-difluorophenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60737083
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 107861371
N-(2-cyanopropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 62652057
N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 103770322
N-[cyano-(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110664185
N-(5-hydroxy-4-methylpentyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 103861422
N-[cyano(cyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 103727953
N-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 4881394

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid (CID 104964357) is (2S,3R)-3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid is C[C@@H](O)[C@H](NC(=O)C1=NNC(=O)CC1)C(=O)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The InChIKey is SGWZNKKIDTYEOO-FBCQKBJTSA-N. The full InChI is InChI=1S/C9H13N3O5/c1-4(13)7(9(16)17)10-8(15)5-2-3-6(14)12-11-5/h4,7,13H,2-3H2,1H3,(H,10,15)(H,12,14)(H,16,17)/t4-,7+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
(2S,3R)-3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid has a molecular weight of 243.22 g/mol, XLogP of -1.80, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 104964357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).