methyl (2S)-2-amino-3-naphthalen-2-ylpropanoate

C14H15NO2 — CID 9291934

IUPACmethyl (2S)-2-amino-3-naphthalen-2-ylpropanoate
SMILESCOC(=O)[C@@H](N)Cc1ccc2ccccc2c1
InChIInChI=1S/C14H15NO2/c1-17-14(16)13(15)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8,13H,9,15H2,1H3/t13-/m0/s1
InChIKeyNJPNWMZBNBROPE-ZDUSSCGKSA-N
MW229.28 g/mol
LogP1.88
Rot. Bonds3

About methyl (2S)-2-amino-3-naphthalen-2-ylpropanoate

methyl (2S)-2-amino-3-naphthalen-2-ylpropanoate (PubChem CID 9291934) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-naphthalen-2-ylpropanoate
PubChem CID9291934
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namemethyl (2S)-2-amino-3-naphthalen-2-ylpropanoate
SMILESCOC(=O)[C@@H](N)Cc1ccc2ccccc2c1
InChIInChI=1S/C14H15NO2/c1-17-14(16)13(15)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8,13H,9,15H2,1H3/t13-/m0/s1
InChIKeyNJPNWMZBNBROPE-ZDUSSCGKSA-N
XLogP1.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-naphthalen-2-ylpropanoate?
The IUPAC name of methyl (2S)-2-amino-3-naphthalen-2-ylpropanoate (CID 9291934) is methyl (2S)-2-amino-3-naphthalen-2-ylpropanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-naphthalen-2-ylpropanoate?
The canonical SMILES for methyl (2S)-2-amino-3-naphthalen-2-ylpropanoate is COC(=O)[C@@H](N)Cc1ccc2ccccc2c1.
What is the InChIKey of methyl (2S)-2-amino-3-naphthalen-2-ylpropanoate?
The InChIKey is NJPNWMZBNBROPE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15NO2/c1-17-14(16)13(15)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8,13H,9,15H2,1H3/t13-/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-naphthalen-2-ylpropanoate?
methyl (2S)-2-amino-3-naphthalen-2-ylpropanoate has a molecular weight of 229.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-naphthalen-2-ylpropanoate is sourced from PubChem (CID 9291934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).