(2S)-2-amino-3-(4-pyridazin-3-ylphenyl)propanoic acid

C13H13N3O2 — CID 172530060

IUPAC(2S)-2-amino-3-(4-pyridazin-3-ylphenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(-c2cccnn2)cc1)C(=O)O
InChIInChI=1S/C13H13N3O2/c14-11(13(17)18)8-9-3-5-10(6-4-9)12-2-1-7-15-16-12/h1-7,11H,8,14H2,(H,17,18)/t11-/m0/s1
InChIKeyLIKJLFSEXHAOPB-NSHDSACASA-N
MW243.27 g/mol
LogP1.10
Rot. Bonds4

About (2S)-2-amino-3-(4-pyridazin-3-ylphenyl)propanoic acid

(2S)-2-amino-3-(4-pyridazin-3-ylphenyl)propanoic acid (PubChem CID 172530060) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-pyridazin-3-ylphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-pyridazin-3-ylphenyl)propanoic acid
PubChem CID172530060
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name(2S)-2-amino-3-(4-pyridazin-3-ylphenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(-c2cccnn2)cc1)C(=O)O
InChIInChI=1S/C13H13N3O2/c14-11(13(17)18)8-9-3-5-10(6-4-9)12-2-1-7-15-16-12/h1-7,11H,8,14H2,(H,17,18)/t11-/m0/s1
InChIKeyLIKJLFSEXHAOPB-NSHDSACASA-N
XLogP1.10
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid
CID 131872302
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(2S)-2-amino-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid
CID 69315806
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
2-amino-3-(4-hydroxyphenyl)propanoic acid;copper;2-pyridin-2-ylpyridine
CID 174728149

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-pyridazin-3-ylphenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-pyridazin-3-ylphenyl)propanoic acid (CID 172530060) is (2S)-2-amino-3-(4-pyridazin-3-ylphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-pyridazin-3-ylphenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-pyridazin-3-ylphenyl)propanoic acid is N[C@@H](Cc1ccc(-c2cccnn2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4-pyridazin-3-ylphenyl)propanoic acid?
The InChIKey is LIKJLFSEXHAOPB-NSHDSACASA-N. The full InChI is InChI=1S/C13H13N3O2/c14-11(13(17)18)8-9-3-5-10(6-4-9)12-2-1-7-15-16-12/h1-7,11H,8,14H2,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-pyridazin-3-ylphenyl)propanoic acid?
(2S)-2-amino-3-(4-pyridazin-3-ylphenyl)propanoic acid has a molecular weight of 243.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-pyridazin-3-ylphenyl)propanoic acid is sourced from PubChem (CID 172530060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).