2-aminopropanoic acid;1H-indazole

C10H13N3O2 — CID 175055446

IUPAC2-aminopropanoic acid;1H-indazole
SMILESCC(N)C(=O)O.c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H6N2.C3H7NO2/c1-2-4-7-6(3-1)5-8-9-7;1-2(4)3(5)6/h1-5H,(H,8,9);2H,4H2,1H3,(H,5,6)
InChIKeyGQKRAAPAXPEHLM-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.98
Rot. Bonds1

About 2-aminopropanoic acid;1H-indazole

2-aminopropanoic acid;1H-indazole (PubChem CID 175055446) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-aminopropanoic acid;1H-indazole.

Molecular Properties

Compound Name2-aminopropanoic acid;1H-indazole
PubChem CID175055446
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-aminopropanoic acid;1H-indazole
SMILESCC(N)C(=O)O.c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H6N2.C3H7NO2/c1-2-4-7-6(3-1)5-8-9-7;1-2(4)3(5)6/h1-5H,(H,8,9);2H,4H2,1H3,(H,5,6)
InChIKeyGQKRAAPAXPEHLM-UHFFFAOYSA-N
XLogP0.98
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-aminopropanoic acid;1H-indazole?
The IUPAC name of 2-aminopropanoic acid;1H-indazole (CID 175055446) is 2-aminopropanoic acid;1H-indazole.
What is the SMILES notation for 2-aminopropanoic acid;1H-indazole?
The canonical SMILES for 2-aminopropanoic acid;1H-indazole is CC(N)C(=O)O.c1ccc2[nH]ncc2c1.
What is the InChIKey of 2-aminopropanoic acid;1H-indazole?
The InChIKey is GQKRAAPAXPEHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C3H7NO2/c1-2-4-7-6(3-1)5-8-9-7;1-2(4)3(5)6/h1-5H,(H,8,9);2H,4H2,1H3,(H,5,6).
What are the key properties of 2-aminopropanoic acid;1H-indazole?
2-aminopropanoic acid;1H-indazole has a molecular weight of 207.23 g/mol, XLogP of 0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanoic acid;1H-indazole is sourced from PubChem (CID 175055446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).