3-amino-2-(4-bromopyrazol-1-yl)propanoic acid

C6H8BrN3O2 — CID 64694009

IUPAC3-amino-2-(4-bromopyrazol-1-yl)propanoic acid
SMILESNCC(C(=O)O)n1cc(Br)cn1
InChIInChI=1S/C6H8BrN3O2/c7-4-2-9-10(3-4)5(1-8)6(11)12/h2-3,5H,1,8H2,(H,11,12)
InChIKeyJRWJGIRXAIBYAK-UHFFFAOYSA-N
MW234.05 g/mol
LogP0.23
Rot. Bonds3

About 3-amino-2-(4-bromopyrazol-1-yl)propanoic acid

3-amino-2-(4-bromopyrazol-1-yl)propanoic acid (PubChem CID 64694009) has the molecular formula C6H8BrN3O2 and a molecular weight of 234.05 g/mol. Its IUPAC name is 3-amino-2-(4-bromopyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(4-bromopyrazol-1-yl)propanoic acid
PubChem CID64694009
Molecular FormulaC6H8BrN3O2
Molecular Weight234.05 g/mol
Exact Mass232.98
IUPAC Name3-amino-2-(4-bromopyrazol-1-yl)propanoic acid
SMILESNCC(C(=O)O)n1cc(Br)cn1
InChIInChI=1S/C6H8BrN3O2/c7-4-2-9-10(3-4)5(1-8)6(11)12/h2-3,5H,1,8H2,(H,11,12)
InChIKeyJRWJGIRXAIBYAK-UHFFFAOYSA-N
XLogP0.23
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.05
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-(4-bromopyrazol-1-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-bromopyrazol-1-yl)propanoic acid?
The IUPAC name of 3-amino-2-(4-bromopyrazol-1-yl)propanoic acid (CID 64694009) is 3-amino-2-(4-bromopyrazol-1-yl)propanoic acid.
What is the SMILES notation for 3-amino-2-(4-bromopyrazol-1-yl)propanoic acid?
The canonical SMILES for 3-amino-2-(4-bromopyrazol-1-yl)propanoic acid is NCC(C(=O)O)n1cc(Br)cn1.
What is the InChIKey of 3-amino-2-(4-bromopyrazol-1-yl)propanoic acid?
The InChIKey is JRWJGIRXAIBYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O2/c7-4-2-9-10(3-4)5(1-8)6(11)12/h2-3,5H,1,8H2,(H,11,12).
What are the key properties of 3-amino-2-(4-bromopyrazol-1-yl)propanoic acid?
3-amino-2-(4-bromopyrazol-1-yl)propanoic acid has a molecular weight of 234.05 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-bromopyrazol-1-yl)propanoic acid is sourced from PubChem (CID 64694009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).