2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid

C11H13N3O2 — CID 21102245

IUPAC2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid
SMILESCc1cc(CC(N)C(=O)O)cc2cn[nH]c12
InChIInChI=1S/C11H13N3O2/c1-6-2-7(4-9(12)11(15)16)3-8-5-13-14-10(6)8/h2-3,5,9H,4,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyORSMLSCAEDMRGO-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.83
Rot. Bonds3

About 2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid

2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid (PubChem CID 21102245) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid
PubChem CID21102245
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid
SMILESCc1cc(CC(N)C(=O)O)cc2cn[nH]c12
InChIInChI=1S/C11H13N3O2/c1-6-2-7(4-9(12)11(15)16)3-8-5-13-14-10(6)8/h2-3,5,9H,4,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyORSMLSCAEDMRGO-UHFFFAOYSA-N
XLogP0.83
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid?
The IUPAC name of 2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid (CID 21102245) is 2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid is Cc1cc(CC(N)C(=O)O)cc2cn[nH]c12.
What is the InChIKey of 2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid?
The InChIKey is ORSMLSCAEDMRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-6-2-7(4-9(12)11(15)16)3-8-5-13-14-10(6)8/h2-3,5,9H,4,12H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid?
2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid has a molecular weight of 219.24 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid is sourced from PubChem (CID 21102245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).