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

C10H15N3O5 — CID 114004932

IUPAC(2R)-4-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
SMILESCN1N=C(C(=O)N[C@H](CCO)C(=O)O)CCC1=O
InChIInChI=1S/C10H15N3O5/c1-13-8(15)3-2-6(12-13)9(16)11-7(4-5-14)10(17)18/h7,14H,2-5H2,1H3,(H,11,16)(H,17,18)/t7-/m1/s1
InChIKeyDZQCHMJIEFELPV-SSDOTTSWSA-N
MW257.25 g/mol
LogP-1.45
Rot. Bonds5

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

(2R)-4-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid (PubChem CID 114004932) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
PubChem CID114004932
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name(2R)-4-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
SMILESCN1N=C(C(=O)N[C@H](CCO)C(=O)O)CCC1=O
InChIInChI=1S/C10H15N3O5/c1-13-8(15)3-2-6(12-13)9(16)11-7(4-5-14)10(17)18/h7,14H,2-5H2,1H3,(H,11,16)(H,17,18)/t7-/m1/s1
InChIKeyDZQCHMJIEFELPV-SSDOTTSWSA-N
XLogP-1.45
TPSA119.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid (CID 114004932) is (2R)-4-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid is CN1N=C(C(=O)N[C@H](CCO)C(=O)O)CCC1=O.
What is the InChIKey of (2R)-4-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
The InChIKey is DZQCHMJIEFELPV-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15N3O5/c1-13-8(15)3-2-6(12-13)9(16)11-7(4-5-14)10(17)18/h7,14H,2-5H2,1H3,(H,11,16)(H,17,18)/t7-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
(2R)-4-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid has a molecular weight of 257.25 g/mol, XLogP of -1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 114004932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).