methyl 2-amino-2-(1H-indazol-7-yl)acetate

C10H11N3O2 — CID 131276192

IUPACmethyl 2-amino-2-(1H-indazol-7-yl)acetate
SMILESCOC(=O)C(N)c1cccc2cn[nH]c12
InChIInChI=1S/C10H11N3O2/c1-15-10(14)8(11)7-4-2-3-6-5-12-13-9(6)7/h2-5,8H,11H2,1H3,(H,12,13)
InChIKeyGWZVPINAGLJAHA-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.74
Rot. Bonds2

About methyl 2-amino-2-(1H-indazol-7-yl)acetate

methyl 2-amino-2-(1H-indazol-7-yl)acetate (PubChem CID 131276192) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is methyl 2-amino-2-(1H-indazol-7-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(1H-indazol-7-yl)acetate
PubChem CID131276192
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Namemethyl 2-amino-2-(1H-indazol-7-yl)acetate
SMILESCOC(=O)C(N)c1cccc2cn[nH]c12
InChIInChI=1S/C10H11N3O2/c1-15-10(14)8(11)7-4-2-3-6-5-12-13-9(6)7/h2-5,8H,11H2,1H3,(H,12,13)
InChIKeyGWZVPINAGLJAHA-UHFFFAOYSA-N
XLogP0.74
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(1H-indazol-7-yl)acetate?
The IUPAC name of methyl 2-amino-2-(1H-indazol-7-yl)acetate (CID 131276192) is methyl 2-amino-2-(1H-indazol-7-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-(1H-indazol-7-yl)acetate?
The canonical SMILES for methyl 2-amino-2-(1H-indazol-7-yl)acetate is COC(=O)C(N)c1cccc2cn[nH]c12.
What is the InChIKey of methyl 2-amino-2-(1H-indazol-7-yl)acetate?
The InChIKey is GWZVPINAGLJAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-15-10(14)8(11)7-4-2-3-6-5-12-13-9(6)7/h2-5,8H,11H2,1H3,(H,12,13).
What are the key properties of methyl 2-amino-2-(1H-indazol-7-yl)acetate?
methyl 2-amino-2-(1H-indazol-7-yl)acetate has a molecular weight of 205.22 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(1H-indazol-7-yl)acetate is sourced from PubChem (CID 131276192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).