ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate

C15H16FNO2 — CID 171240068

IUPACethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate
SMILESCCOC(=O)C(F)[C@H](N)c1ccc2ccccc2c1
InChIInChI=1S/C15H16FNO2/c1-2-19-15(18)13(16)14(17)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13-14H,2,17H2,1H3/t13?,14-/m1/s1
InChIKeyWTBJYAWJIICKQZ-ARLHGKGLSA-N
MW261.30 g/mol
LogP2.74
Rot. Bonds4

About ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate

ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate (PubChem CID 171240068) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Nameethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate
PubChem CID171240068
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Nameethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate
SMILESCCOC(=O)C(F)[C@H](N)c1ccc2ccccc2c1
InChIInChI=1S/C15H16FNO2/c1-2-19-15(18)13(16)14(17)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13-14H,2,17H2,1H3/t13?,14-/m1/s1
InChIKeyWTBJYAWJIICKQZ-ARLHGKGLSA-N
XLogP2.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-3-amino-2-fluoro-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride
CID 171240201
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CID 611707
ethyl (3R)-3-amino-2-fluoro-3-(4-methoxyphenyl)propanoate;hydrochloride
CID 171239902
ethyl (3S)-3-amino-2-fluoro-3-(4-phenylphenyl)propanoate
CID 171249187
ethyl 5-amino-4-methyl-5-naphthalen-2-ylpent-2-enoate
CID 57289580
ethyl (3S)-3-amino-2-fluoro-3-(3-iodophenyl)propanoate
CID 171249950
ethyl (3S)-3-amino-3-(3-chlorophenyl)-2-fluoropropanoate
CID 171246110
ethyl (3S)-3-amino-3-anthracen-9-yl-2-fluoropropanoate
CID 171245373
ethyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)-2-fluoropropanoate;hydrochloride
CID 171246023
ethyl (3S)-3-amino-3-(3-chlorophenyl)-2-fluoropropanoate;hydrochloride
CID 171246111
ethyl (3R)-3-amino-3-(4-bromo-3-fluorophenyl)-2-fluoropropanoate
CID 171240248
methyl 2-[amino(naphthalen-2-yl)methyl]butanoate
CID 116946047

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate?
The IUPAC name of ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate (CID 171240068) is ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate.
What is the SMILES notation for ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate?
The canonical SMILES for ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate is CCOC(=O)C(F)[C@H](N)c1ccc2ccccc2c1.
What is the InChIKey of ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate?
The InChIKey is WTBJYAWJIICKQZ-ARLHGKGLSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-2-19-15(18)13(16)14(17)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13-14H,2,17H2,1H3/t13?,14-/m1/s1.
What are the key properties of ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate?
ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate has a molecular weight of 261.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate is sourced from PubChem (CID 171240068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).