(2S)-2-amino-3-[(5R)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]propanoic acid

C7H11N3O3 — CID 10943157

IUPAC(2S)-2-amino-3-[(5R)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]propanoic acid
SMILESN[C@@H](C[C@@H]1CC=NNC1=O)C(=O)O
InChIInChI=1S/C7H11N3O3/c8-5(7(12)13)3-4-1-2-9-10-6(4)11/h2,4-5H,1,3,8H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1
InChIKeyOLWUOIQREATVEQ-WHFBIAKZSA-N
MW185.18 g/mol
LogP-1.09
Rot. Bonds3

About (2S)-2-amino-3-[(5R)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]propanoic acid

(2S)-2-amino-3-[(5R)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]propanoic acid (PubChem CID 10943157) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is (2S)-2-amino-3-[(5R)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(5R)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]propanoic acid
PubChem CID10943157
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name(2S)-2-amino-3-[(5R)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]propanoic acid
SMILESN[C@@H](C[C@@H]1CC=NNC1=O)C(=O)O
InChIInChI=1S/C7H11N3O3/c8-5(7(12)13)3-4-1-2-9-10-6(4)11/h2,4-5H,1,3,8H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1
InChIKeyOLWUOIQREATVEQ-WHFBIAKZSA-N
XLogP-1.09
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)butanoic acid
CID 10933456
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CID 10330059
(2S)-2-amino-3-(2-cyclopropylidenecyclopropyl)propanoic acid
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2-amino-3-(2-oxopiperidin-3-yl)propanoic acid
CID 22247801
(2R)-2-amino-3-(2-methylidenecyclopropyl)propanoic acid
CID 131034115
2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoic acid
CID 175266856
(2S)-2-amino-3-[(3R)-1-amino-2,5-dioxopyrrolidin-3-yl]propanoic acid
CID 10998047
(2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid
CID 106702789
2-amino-3-(aziridin-2-yl)propanoic acid
CID 76553046
CID 101063678
CID 101063678
(2S)-2-amino-3-(4,5-dihydro-1H-imidazol-5-yl)propanoic acid
CID 67425595
2-amino-3-(5-methyl-2-oxocyclohexyl)propanoic acid
CID 123873971

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(5R)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[(5R)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]propanoic acid (CID 10943157) is (2S)-2-amino-3-[(5R)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[(5R)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[(5R)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]propanoic acid is N[C@@H](C[C@@H]1CC=NNC1=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[(5R)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]propanoic acid?
The InChIKey is OLWUOIQREATVEQ-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H11N3O3/c8-5(7(12)13)3-4-1-2-9-10-6(4)11/h2,4-5H,1,3,8H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1.
What are the key properties of (2S)-2-amino-3-[(5R)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]propanoic acid?
(2S)-2-amino-3-[(5R)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]propanoic acid has a molecular weight of 185.18 g/mol, XLogP of -1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(5R)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]propanoic acid is sourced from PubChem (CID 10943157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).