ethyl 2-amino-2-naphthalen-1-ylpropanoate

C15H17NO2 — CID 60796061

IUPACethyl 2-amino-2-naphthalen-1-ylpropanoate
SMILESCCOC(=O)C(C)(N)c1cccc2ccccc12
InChIInChI=1S/C15H17NO2/c1-3-18-14(17)15(2,16)13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,3,16H2,1-2H3
InChIKeyIZFJKEUDBMJEAL-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.58
Rot. Bonds3

About ethyl 2-amino-2-naphthalen-1-ylpropanoate

ethyl 2-amino-2-naphthalen-1-ylpropanoate (PubChem CID 60796061) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is ethyl 2-amino-2-naphthalen-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-naphthalen-1-ylpropanoate
PubChem CID60796061
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Nameethyl 2-amino-2-naphthalen-1-ylpropanoate
SMILESCCOC(=O)C(C)(N)c1cccc2ccccc12
InChIInChI=1S/C15H17NO2/c1-3-18-14(17)15(2,16)13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,3,16H2,1-2H3
InChIKeyIZFJKEUDBMJEAL-UHFFFAOYSA-N
XLogP2.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-amino-2-methyl-2-naphthalen-1-ylbutanoate
CID 117049874
ethyl 3-amino-3-naphthalen-1-ylbutanoate
CID 79849159
ethyl 3,3,3-trifluoro-2-hydroxy-2-naphthalen-1-ylpropanoate
CID 12060174
ethyl (2S)-2-amino-2-methyl-3-naphthalen-1-ylpropanoate
CID 11173902
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
methyl 3-amino-3-naphthalen-1-ylbutanoate
CID 79849227
ethyl 2-amino-2-(2-phenylmethoxyphenyl)propanoate
CID 5027980
3-methyl-3-naphthalen-1-ylbutanoic acid
CID 79020311
ethyl 2-hydroxy-2-methyl-3-naphthalen-1-ylbutanoate
CID 79298470
3-hydroxy-3-naphthalen-1-ylbutanoic acid
CID 598604
(1-naphthalen-1-yl-1-phenylethyl) 2,2-dimethylbutanoate
CID 20813193
ethyl 2-amino-2-(4-tert-butylphenyl)propanoate
CID 3918819

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-naphthalen-1-ylpropanoate?
The IUPAC name of ethyl 2-amino-2-naphthalen-1-ylpropanoate (CID 60796061) is ethyl 2-amino-2-naphthalen-1-ylpropanoate.
What is the SMILES notation for ethyl 2-amino-2-naphthalen-1-ylpropanoate?
The canonical SMILES for ethyl 2-amino-2-naphthalen-1-ylpropanoate is CCOC(=O)C(C)(N)c1cccc2ccccc12.
What is the InChIKey of ethyl 2-amino-2-naphthalen-1-ylpropanoate?
The InChIKey is IZFJKEUDBMJEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-18-14(17)15(2,16)13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,3,16H2,1-2H3.
What are the key properties of ethyl 2-amino-2-naphthalen-1-ylpropanoate?
ethyl 2-amino-2-naphthalen-1-ylpropanoate has a molecular weight of 243.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-naphthalen-1-ylpropanoate is sourced from PubChem (CID 60796061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).