(2S)-3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid

C9H13N3O5 — CID 61152190

IUPAC(2S)-3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
SMILESCN1N=C(C(=O)N[C@@H](CO)C(=O)O)CCC1=O
InChIInChI=1S/C9H13N3O5/c1-12-7(14)3-2-5(11-12)8(15)10-6(4-13)9(16)17/h6,13H,2-4H2,1H3,(H,10,15)(H,16,17)/t6-/m0/s1
InChIKeyVZSBJCKFJBTZJF-LURJTMIESA-N
MW243.22 g/mol
LogP-1.84
Rot. Bonds4

About (2S)-3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid

(2S)-3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid (PubChem CID 61152190) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
PubChem CID61152190
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC Name(2S)-3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
SMILESCN1N=C(C(=O)N[C@@H](CO)C(=O)O)CCC1=O
InChIInChI=1S/C9H13N3O5/c1-12-7(14)3-2-5(11-12)8(15)10-6(4-13)9(16)17/h6,13H,2-4H2,1H3,(H,10,15)(H,16,17)/t6-/m0/s1
InChIKeyVZSBJCKFJBTZJF-LURJTMIESA-N
XLogP-1.84
TPSA119.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid (CID 61152190) is (2S)-3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid is CN1N=C(C(=O)N[C@@H](CO)C(=O)O)CCC1=O.
What is the InChIKey of (2S)-3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid?
The InChIKey is VZSBJCKFJBTZJF-LURJTMIESA-N. The full InChI is InChI=1S/C9H13N3O5/c1-12-7(14)3-2-5(11-12)8(15)10-6(4-13)9(16)17/h6,13H,2-4H2,1H3,(H,10,15)(H,16,17)/t6-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid?
(2S)-3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid has a molecular weight of 243.22 g/mol, XLogP of -1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61152190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).