(2S)-2-(pyridazin-3-ylamino)propanoic acid

C7H9N3O2 — CID 94453208

IUPAC(2S)-2-(pyridazin-3-ylamino)propanoic acid
SMILESC[C@H](Nc1cccnn1)C(=O)O
InChIInChI=1S/C7H9N3O2/c1-5(7(11)12)9-6-3-2-4-8-10-6/h2-5H,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyVICSSROENYZRKA-YFKPBYRVSA-N
MW167.17 g/mol
LogP0.36
Rot. Bonds3

About (2S)-2-(pyridazin-3-ylamino)propanoic acid

(2S)-2-(pyridazin-3-ylamino)propanoic acid (PubChem CID 94453208) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is (2S)-2-(pyridazin-3-ylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(pyridazin-3-ylamino)propanoic acid
PubChem CID94453208
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name(2S)-2-(pyridazin-3-ylamino)propanoic acid
SMILESC[C@H](Nc1cccnn1)C(=O)O
InChIInChI=1S/C7H9N3O2/c1-5(7(11)12)9-6-3-2-4-8-10-6/h2-5H,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyVICSSROENYZRKA-YFKPBYRVSA-N
XLogP0.36
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(pyridazin-3-ylamino)propanoic acid?
The IUPAC name of (2S)-2-(pyridazin-3-ylamino)propanoic acid (CID 94453208) is (2S)-2-(pyridazin-3-ylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(pyridazin-3-ylamino)propanoic acid?
The canonical SMILES for (2S)-2-(pyridazin-3-ylamino)propanoic acid is C[C@H](Nc1cccnn1)C(=O)O.
What is the InChIKey of (2S)-2-(pyridazin-3-ylamino)propanoic acid?
The InChIKey is VICSSROENYZRKA-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-5(7(11)12)9-6-3-2-4-8-10-6/h2-5H,1H3,(H,9,10)(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-(pyridazin-3-ylamino)propanoic acid?
(2S)-2-(pyridazin-3-ylamino)propanoic acid has a molecular weight of 167.17 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(pyridazin-3-ylamino)propanoic acid is sourced from PubChem (CID 94453208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).