methyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate

C12H13FN2O2 — CID 115072345

IUPACmethyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate
SMILESCOC(=O)C(N)c1cc2cccc(F)c2n1C
InChIInChI=1S/C12H13FN2O2/c1-15-9(10(14)12(16)17-2)6-7-4-3-5-8(13)11(7)15/h3-6,10H,14H2,1-2H3
InChIKeyJVNPMSACNKZGIX-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.49
Rot. Bonds2

About methyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate

methyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate (PubChem CID 115072345) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is methyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate
PubChem CID115072345
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Namemethyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate
SMILESCOC(=O)C(N)c1cc2cccc(F)c2n1C
InChIInChI=1S/C12H13FN2O2/c1-15-9(10(14)12(16)17-2)6-7-4-3-5-8(13)11(7)15/h3-6,10H,14H2,1-2H3
InChIKeyJVNPMSACNKZGIX-UHFFFAOYSA-N
XLogP1.49
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate?
The IUPAC name of methyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate (CID 115072345) is methyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate?
The canonical SMILES for methyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate is COC(=O)C(N)c1cc2cccc(F)c2n1C.
What is the InChIKey of methyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate?
The InChIKey is JVNPMSACNKZGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-15-9(10(14)12(16)17-2)6-7-4-3-5-8(13)11(7)15/h3-6,10H,14H2,1-2H3.
What are the key properties of methyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate?
methyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate has a molecular weight of 236.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate is sourced from PubChem (CID 115072345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).