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

C9H13N3O4 — CID 61131453

IUPAC(2S)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)C1=NN(C)C(=O)CC1)C(=O)O
InChIInChI=1S/C9H13N3O4/c1-5(9(15)16)10-8(14)6-3-4-7(13)12(2)11-6/h5H,3-4H2,1-2H3,(H,10,14)(H,15,16)/t5-/m0/s1
InChIKeyLRANODMPWIDSSH-YFKPBYRVSA-N
MW227.22 g/mol
LogP-0.82
Rot. Bonds3

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

(2S)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid (PubChem CID 61131453) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is (2S)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
PubChem CID61131453
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name(2S)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)C1=NN(C)C(=O)CC1)C(=O)O
InChIInChI=1S/C9H13N3O4/c1-5(9(15)16)10-8(14)6-3-4-7(13)12(2)11-6/h5H,3-4H2,1-2H3,(H,10,14)(H,15,16)/t5-/m0/s1
InChIKeyLRANODMPWIDSSH-YFKPBYRVSA-N
XLogP-0.82
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid (CID 61131453) is (2S)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid is C[C@H](NC(=O)C1=NN(C)C(=O)CC1)C(=O)O.
What is the InChIKey of (2S)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid?
The InChIKey is LRANODMPWIDSSH-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-5(9(15)16)10-8(14)6-3-4-7(13)12(2)11-6/h5H,3-4H2,1-2H3,(H,10,14)(H,15,16)/t5-/m0/s1.
What are the key properties of (2S)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid?
(2S)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid has a molecular weight of 227.22 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61131453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).