methyl (2S)-2-(naphthalen-2-ylamino)-3-phenylpropanoate

C20H19NO2 — CID 162417917

IUPACmethyl (2S)-2-(naphthalen-2-ylamino)-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H19NO2/c1-23-20(22)19(13-15-7-3-2-4-8-15)21-18-12-11-16-9-5-6-10-17(16)14-18/h2-12,14,19,21H,13H2,1H3/t19-/m0/s1
InChIKeyOENAFJZURSFTMW-IBGZPJMESA-N
MW305.38 g/mol
LogP4.04
Rot. Bonds5

About methyl (2S)-2-(naphthalen-2-ylamino)-3-phenylpropanoate

methyl (2S)-2-(naphthalen-2-ylamino)-3-phenylpropanoate (PubChem CID 162417917) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is methyl (2S)-2-(naphthalen-2-ylamino)-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(naphthalen-2-ylamino)-3-phenylpropanoate
PubChem CID162417917
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Namemethyl (2S)-2-(naphthalen-2-ylamino)-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H19NO2/c1-23-20(22)19(13-15-7-3-2-4-8-15)21-18-12-11-16-9-5-6-10-17(16)14-18/h2-12,14,19,21H,13H2,1H3/t19-/m0/s1
InChIKeyOENAFJZURSFTMW-IBGZPJMESA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(naphthalen-2-ylamino)-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-(naphthalen-2-ylamino)-3-phenylpropanoate (CID 162417917) is methyl (2S)-2-(naphthalen-2-ylamino)-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-(naphthalen-2-ylamino)-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-(naphthalen-2-ylamino)-3-phenylpropanoate is COC(=O)[C@H](Cc1ccccc1)Nc1ccc2ccccc2c1.
What is the InChIKey of methyl (2S)-2-(naphthalen-2-ylamino)-3-phenylpropanoate?
The InChIKey is OENAFJZURSFTMW-IBGZPJMESA-N. The full InChI is InChI=1S/C20H19NO2/c1-23-20(22)19(13-15-7-3-2-4-8-15)21-18-12-11-16-9-5-6-10-17(16)14-18/h2-12,14,19,21H,13H2,1H3/t19-/m0/s1.
What are the key properties of methyl (2S)-2-(naphthalen-2-ylamino)-3-phenylpropanoate?
methyl (2S)-2-(naphthalen-2-ylamino)-3-phenylpropanoate has a molecular weight of 305.38 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(naphthalen-2-ylamino)-3-phenylpropanoate is sourced from PubChem (CID 162417917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).