(2S)-2-amino-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)butanoic acid

C8H13N3O3 — CID 10933456

IUPAC(2S)-2-amino-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)butanoic acid
SMILESN[C@@H](CCC1CC=NNC1=O)C(=O)O
InChIInChI=1S/C8H13N3O3/c9-6(8(13)14)2-1-5-3-4-10-11-7(5)12/h4-6H,1-3,9H2,(H,11,12)(H,13,14)/t5?,6-/m0/s1
InChIKeyCTVLHAMXHNUYHX-GDVGLLTNSA-N
MW199.21 g/mol
LogP-0.70
Rot. Bonds4

About (2S)-2-amino-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)butanoic acid

(2S)-2-amino-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)butanoic acid (PubChem CID 10933456) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is (2S)-2-amino-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)butanoic acid
PubChem CID10933456
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name(2S)-2-amino-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)butanoic acid
SMILESN[C@@H](CCC1CC=NNC1=O)C(=O)O
InChIInChI=1S/C8H13N3O3/c9-6(8(13)14)2-1-5-3-4-10-11-7(5)12/h4-6H,1-3,9H2,(H,11,12)(H,13,14)/t5?,6-/m0/s1
InChIKeyCTVLHAMXHNUYHX-GDVGLLTNSA-N
XLogP-0.70
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-[(5R)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]propanoic acid
CID 10943157
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-4-(2,3-dihydro-1H-pyrrol-4-yl)butanoic acid
CID 69405469
(2S)-2,5-diamino-5-(2,5-dihydro-1H-imidazol-2-yl)pentanoic acid
CID 22981986
(2S)-2-amino-3-[(3S)-2,5-dioxopyrrolidin-3-yl]propanoic acid
CID 10330059
2-amino-4-(6-oxo-1H-pyrimidin-2-yl)butanoic acid
CID 54353358
2-amino-4-hydroxybutanoic acid;piperazine-2,3-dione
CID 67413612
2,6-diaminoheptanedioic acid
CID 865
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2-amino-3-(2-oxopiperidin-3-yl)propanoic acid
CID 22247801
trans-(1S,2S)-1-amino-2-[(3R)-3-amino-3-carboxypropyl]cyclopropane-1-carboxylic acid
CID 10584245
2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid
CID 53462120

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)butanoic acid (CID 10933456) is (2S)-2-amino-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)butanoic acid is N[C@@H](CCC1CC=NNC1=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)butanoic acid?
The InChIKey is CTVLHAMXHNUYHX-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H13N3O3/c9-6(8(13)14)2-1-5-3-4-10-11-7(5)12/h4-6H,1-3,9H2,(H,11,12)(H,13,14)/t5?,6-/m0/s1.
What are the key properties of (2S)-2-amino-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)butanoic acid?
(2S)-2-amino-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)butanoic acid has a molecular weight of 199.21 g/mol, XLogP of -0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)butanoic acid is sourced from PubChem (CID 10933456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).