3-[(6-bromo-1-methylindazol-3-yl)amino]propanoic acid

C11H12BrN3O2 — CID 154941998

IUPAC3-[(6-bromo-1-methylindazol-3-yl)amino]propanoic acid
SMILESCn1nc(NCCC(=O)O)c2ccc(Br)cc21
InChIInChI=1S/C11H12BrN3O2/c1-15-9-6-7(12)2-3-8(9)11(14-15)13-5-4-10(16)17/h2-3,6H,4-5H2,1H3,(H,13,14)(H,16,17)
InChIKeyIUFBJEMQMMJUEP-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.22
Rot. Bonds4

About 3-[(6-bromo-1-methylindazol-3-yl)amino]propanoic acid

3-[(6-bromo-1-methylindazol-3-yl)amino]propanoic acid (PubChem CID 154941998) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 3-[(6-bromo-1-methylindazol-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(6-bromo-1-methylindazol-3-yl)amino]propanoic acid
PubChem CID154941998
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name3-[(6-bromo-1-methylindazol-3-yl)amino]propanoic acid
SMILESCn1nc(NCCC(=O)O)c2ccc(Br)cc21
InChIInChI=1S/C11H12BrN3O2/c1-15-9-6-7(12)2-3-8(9)11(14-15)13-5-4-10(16)17/h2-3,6H,4-5H2,1H3,(H,13,14)(H,16,17)
InChIKeyIUFBJEMQMMJUEP-UHFFFAOYSA-N
XLogP2.22
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-1-methyl-N-(3-morpholin-4-ylpropyl)indazol-3-amine
CID 121275835
3,6-dibromo-1-methylindazole
CID 76846072
6-bromo-3-(bromomethyl)-1-methylindazole
CID 171846635
3-[(6-bromo-5-fluoro-1-propan-2-ylindazol-3-yl)amino]propanoic acid
CID 166169074
3-[(5-fluoro-1,6-dimethylindazol-3-yl)amino]propanamide
CID 177012069
6-bromo-1,3-dimethylindazole;ethane
CID 145062136
6-bromo-1-methylindazol-3-amine
CID 46835549
6-bromo-1-methylindazole-3-carbaldehyde
CID 83912445
3-(5-bromo-2-methylindazol-3-yl)propanoic acid
CID 84730630
3-(4-bromo-2-iodoanilino)propanoic acid
CID 131118680
5-bromo-1-methylindazole-3-carboxylic acid
CID 67230358
N',N'-diethyl-N-(6-fluoro-1-methylindazol-3-yl)ethane-1,2-diamine
CID 130182373

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-1-methylindazol-3-yl)amino]propanoic acid?
The IUPAC name of 3-[(6-bromo-1-methylindazol-3-yl)amino]propanoic acid (CID 154941998) is 3-[(6-bromo-1-methylindazol-3-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(6-bromo-1-methylindazol-3-yl)amino]propanoic acid?
The canonical SMILES for 3-[(6-bromo-1-methylindazol-3-yl)amino]propanoic acid is Cn1nc(NCCC(=O)O)c2ccc(Br)cc21.
What is the InChIKey of 3-[(6-bromo-1-methylindazol-3-yl)amino]propanoic acid?
The InChIKey is IUFBJEMQMMJUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-15-9-6-7(12)2-3-8(9)11(14-15)13-5-4-10(16)17/h2-3,6H,4-5H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 3-[(6-bromo-1-methylindazol-3-yl)amino]propanoic acid?
3-[(6-bromo-1-methylindazol-3-yl)amino]propanoic acid has a molecular weight of 298.14 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-1-methylindazol-3-yl)amino]propanoic acid is sourced from PubChem (CID 154941998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).