methyl (2R)-2-amino-3-(3H-inden-1-yl)propanoate

C13H15NO2 — CID 58249638

IUPACmethyl (2R)-2-amino-3-(3H-inden-1-yl)propanoate
SMILESCOC(=O)[C@H](N)CC1=CCc2ccccc21
InChIInChI=1S/C13H15NO2/c1-16-13(15)12(14)8-10-7-6-9-4-2-3-5-11(9)10/h2-5,7,12H,6,8,14H2,1H3/t12-/m1/s1
InChIKeyYMCDJTJXWNMKIK-GFCCVEGCSA-N
MW217.27 g/mol
LogP1.52
Rot. Bonds3

About methyl (2R)-2-amino-3-(3H-inden-1-yl)propanoate

methyl (2R)-2-amino-3-(3H-inden-1-yl)propanoate (PubChem CID 58249638) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(3H-inden-1-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(3H-inden-1-yl)propanoate
PubChem CID58249638
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Namemethyl (2R)-2-amino-3-(3H-inden-1-yl)propanoate
SMILESCOC(=O)[C@H](N)CC1=CCc2ccccc21
InChIInChI=1S/C13H15NO2/c1-16-13(15)12(14)8-10-7-6-9-4-2-3-5-11(9)10/h2-5,7,12H,6,8,14H2,1H3/t12-/m1/s1
InChIKeyYMCDJTJXWNMKIK-GFCCVEGCSA-N
XLogP1.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-(3H-inden-1-yl)propanoate?
The IUPAC name of methyl (2R)-2-amino-3-(3H-inden-1-yl)propanoate (CID 58249638) is methyl (2R)-2-amino-3-(3H-inden-1-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-(3H-inden-1-yl)propanoate?
The canonical SMILES for methyl (2R)-2-amino-3-(3H-inden-1-yl)propanoate is COC(=O)[C@H](N)CC1=CCc2ccccc21.
What is the InChIKey of methyl (2R)-2-amino-3-(3H-inden-1-yl)propanoate?
The InChIKey is YMCDJTJXWNMKIK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15NO2/c1-16-13(15)12(14)8-10-7-6-9-4-2-3-5-11(9)10/h2-5,7,12H,6,8,14H2,1H3/t12-/m1/s1.
What are the key properties of methyl (2R)-2-amino-3-(3H-inden-1-yl)propanoate?
methyl (2R)-2-amino-3-(3H-inden-1-yl)propanoate has a molecular weight of 217.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-(3H-inden-1-yl)propanoate is sourced from PubChem (CID 58249638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).