2-amino-3-(2H-indazol-3-yl)propanoic acid;hydrochloride

C10H12ClN3O2 — CID 11851179

IUPAC2-amino-3-(2H-indazol-3-yl)propanoic acid;hydrochloride
SMILESCl.NC(Cc1[nH]nc2ccccc12)C(=O)O
InChIInChI=1S/C10H11N3O2.ClH/c11-7(10(14)15)5-9-6-3-1-2-4-8(6)12-13-9;/h1-4,7H,5,11H2,(H,12,13)(H,14,15);1H
InChIKeyWJIVZIZIFFEEQI-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.94
Rot. Bonds3

About 2-amino-3-(2H-indazol-3-yl)propanoic acid;hydrochloride

2-amino-3-(2H-indazol-3-yl)propanoic acid;hydrochloride (PubChem CID 11851179) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 2-amino-3-(2H-indazol-3-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(2H-indazol-3-yl)propanoic acid;hydrochloride
PubChem CID11851179
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name2-amino-3-(2H-indazol-3-yl)propanoic acid;hydrochloride
SMILESCl.NC(Cc1[nH]nc2ccccc12)C(=O)O
InChIInChI=1S/C10H11N3O2.ClH/c11-7(10(14)15)5-9-6-3-1-2-4-8(6)12-13-9;/h1-4,7H,5,11H2,(H,12,13)(H,14,15);1H
InChIKeyWJIVZIZIFFEEQI-UHFFFAOYSA-N
XLogP0.94
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2H-indazol-3-yl)propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-(2H-indazol-3-yl)propanoic acid;hydrochloride (CID 11851179) is 2-amino-3-(2H-indazol-3-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-(2H-indazol-3-yl)propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-(2H-indazol-3-yl)propanoic acid;hydrochloride is Cl.NC(Cc1[nH]nc2ccccc12)C(=O)O.
What is the InChIKey of 2-amino-3-(2H-indazol-3-yl)propanoic acid;hydrochloride?
The InChIKey is WJIVZIZIFFEEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2.ClH/c11-7(10(14)15)5-9-6-3-1-2-4-8(6)12-13-9;/h1-4,7H,5,11H2,(H,12,13)(H,14,15);1H.
What are the key properties of 2-amino-3-(2H-indazol-3-yl)propanoic acid;hydrochloride?
2-amino-3-(2H-indazol-3-yl)propanoic acid;hydrochloride has a molecular weight of 241.68 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2H-indazol-3-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 11851179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).