ethyl (2S)-2-amino-2-methyl-3-naphthalen-1-ylpropanoate

C16H19NO2 — CID 11173902

IUPACethyl (2S)-2-amino-2-methyl-3-naphthalen-1-ylpropanoate
SMILESCCOC(=O)[C@@](C)(N)Cc1cccc2ccccc12
InChIInChI=1S/C16H19NO2/c1-3-19-15(18)16(2,17)11-13-9-6-8-12-7-4-5-10-14(12)13/h4-10H,3,11,17H2,1-2H3/t16-/m0/s1
InChIKeyKSKNOZNPMVHOSE-INIZCTEOSA-N
MW257.33 g/mol
LogP2.66
Rot. Bonds4

About ethyl (2S)-2-amino-2-methyl-3-naphthalen-1-ylpropanoate

ethyl (2S)-2-amino-2-methyl-3-naphthalen-1-ylpropanoate (PubChem CID 11173902) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl (2S)-2-amino-2-methyl-3-naphthalen-1-ylpropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-amino-2-methyl-3-naphthalen-1-ylpropanoate
PubChem CID11173902
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Nameethyl (2S)-2-amino-2-methyl-3-naphthalen-1-ylpropanoate
SMILESCCOC(=O)[C@@](C)(N)Cc1cccc2ccccc12
InChIInChI=1S/C16H19NO2/c1-3-19-15(18)16(2,17)11-13-9-6-8-12-7-4-5-10-14(12)13/h4-10H,3,11,17H2,1-2H3/t16-/m0/s1
InChIKeyKSKNOZNPMVHOSE-INIZCTEOSA-N
XLogP2.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-2-methyl-3-naphthalen-1-ylpropanoate?
The IUPAC name of ethyl (2S)-2-amino-2-methyl-3-naphthalen-1-ylpropanoate (CID 11173902) is ethyl (2S)-2-amino-2-methyl-3-naphthalen-1-ylpropanoate.
What is the SMILES notation for ethyl (2S)-2-amino-2-methyl-3-naphthalen-1-ylpropanoate?
The canonical SMILES for ethyl (2S)-2-amino-2-methyl-3-naphthalen-1-ylpropanoate is CCOC(=O)[C@@](C)(N)Cc1cccc2ccccc12.
What is the InChIKey of ethyl (2S)-2-amino-2-methyl-3-naphthalen-1-ylpropanoate?
The InChIKey is KSKNOZNPMVHOSE-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-19-15(18)16(2,17)11-13-9-6-8-12-7-4-5-10-14(12)13/h4-10H,3,11,17H2,1-2H3/t16-/m0/s1.
What are the key properties of ethyl (2S)-2-amino-2-methyl-3-naphthalen-1-ylpropanoate?
ethyl (2S)-2-amino-2-methyl-3-naphthalen-1-ylpropanoate has a molecular weight of 257.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-2-methyl-3-naphthalen-1-ylpropanoate is sourced from PubChem (CID 11173902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).