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

C6H9BrClN3O2 — CID 75480008

IUPAC2-amino-3-(4-bromopyrazol-1-yl)propanoic acid;hydrochloride
SMILESCl.NC(Cn1cc(Br)cn1)C(=O)O
InChIInChI=1S/C6H8BrN3O2.ClH/c7-4-1-9-10(2-4)3-5(8)6(11)12;/h1-2,5H,3,8H2,(H,11,12);1H
InChIKeySXPCSCUDXNSDJM-UHFFFAOYSA-N
MW270.51 g/mol
LogP0.48
Rot. Bonds3

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

2-amino-3-(4-bromopyrazol-1-yl)propanoic acid;hydrochloride (PubChem CID 75480008) has the molecular formula C6H9BrClN3O2 and a molecular weight of 270.51 g/mol. Its IUPAC name is 2-amino-3-(4-bromopyrazol-1-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(4-bromopyrazol-1-yl)propanoic acid;hydrochloride
PubChem CID75480008
Molecular FormulaC6H9BrClN3O2
Molecular Weight270.51 g/mol
Exact Mass268.96
IUPAC Name2-amino-3-(4-bromopyrazol-1-yl)propanoic acid;hydrochloride
SMILESCl.NC(Cn1cc(Br)cn1)C(=O)O
InChIInChI=1S/C6H8BrN3O2.ClH/c7-4-1-9-10(2-4)3-5(8)6(11)12;/h1-2,5H,3,8H2,(H,11,12);1H
InChIKeySXPCSCUDXNSDJM-UHFFFAOYSA-N
XLogP0.48
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.51
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-bromopyrazol-1-yl)propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-(4-bromopyrazol-1-yl)propanoic acid;hydrochloride (CID 75480008) is 2-amino-3-(4-bromopyrazol-1-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-(4-bromopyrazol-1-yl)propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-(4-bromopyrazol-1-yl)propanoic acid;hydrochloride is Cl.NC(Cn1cc(Br)cn1)C(=O)O.
What is the InChIKey of 2-amino-3-(4-bromopyrazol-1-yl)propanoic acid;hydrochloride?
The InChIKey is SXPCSCUDXNSDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O2.ClH/c7-4-1-9-10(2-4)3-5(8)6(11)12;/h1-2,5H,3,8H2,(H,11,12);1H.
What are the key properties of 2-amino-3-(4-bromopyrazol-1-yl)propanoic acid;hydrochloride?
2-amino-3-(4-bromopyrazol-1-yl)propanoic acid;hydrochloride has a molecular weight of 270.51 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-bromopyrazol-1-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 75480008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).