methyl (2R)-2-amino-2-(1H-indol-5-yl)acetate

C11H12N2O2 — CID 131526259

IUPACmethyl (2R)-2-amino-2-(1H-indol-5-yl)acetate
SMILESCOC(=O)[C@H](N)c1ccc2[nH]ccc2c1
InChIInChI=1S/C11H12N2O2/c1-15-11(14)10(12)8-2-3-9-7(6-8)4-5-13-9/h2-6,10,13H,12H2,1H3/t10-/m1/s1
InChIKeyBEOFWANMMORLLH-SNVBAGLBSA-N
MW204.23 g/mol
LogP1.34
Rot. Bonds2

About methyl (2R)-2-amino-2-(1H-indol-5-yl)acetate

methyl (2R)-2-amino-2-(1H-indol-5-yl)acetate (PubChem CID 131526259) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(1H-indol-5-yl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(1H-indol-5-yl)acetate
PubChem CID131526259
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namemethyl (2R)-2-amino-2-(1H-indol-5-yl)acetate
SMILESCOC(=O)[C@H](N)c1ccc2[nH]ccc2c1
InChIInChI=1S/C11H12N2O2/c1-15-11(14)10(12)8-2-3-9-7(6-8)4-5-13-9/h2-6,10,13H,12H2,1H3/t10-/m1/s1
InChIKeyBEOFWANMMORLLH-SNVBAGLBSA-N
XLogP1.34
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(1H-indol-5-yl)acetate?
The IUPAC name of methyl (2R)-2-amino-2-(1H-indol-5-yl)acetate (CID 131526259) is methyl (2R)-2-amino-2-(1H-indol-5-yl)acetate.
What is the SMILES notation for methyl (2R)-2-amino-2-(1H-indol-5-yl)acetate?
The canonical SMILES for methyl (2R)-2-amino-2-(1H-indol-5-yl)acetate is COC(=O)[C@H](N)c1ccc2[nH]ccc2c1.
What is the InChIKey of methyl (2R)-2-amino-2-(1H-indol-5-yl)acetate?
The InChIKey is BEOFWANMMORLLH-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-15-11(14)10(12)8-2-3-9-7(6-8)4-5-13-9/h2-6,10,13H,12H2,1H3/t10-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-(1H-indol-5-yl)acetate?
methyl (2R)-2-amino-2-(1H-indol-5-yl)acetate has a molecular weight of 204.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(1H-indol-5-yl)acetate is sourced from PubChem (CID 131526259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).