ethyl (3R)-3-amino-2-fluoro-3-(6-methyl-2-pyridinyl)propanoate;hydrochloride

C11H16ClFN2O2 — CID 171243263

IUPACethyl (3R)-3-amino-2-fluoro-3-(6-methyl-2-pyridinyl)propanoate;hydrochloride
SMILESCCOC(=O)C(F)[C@H](N)c1cccc(C)n1.Cl
InChIInChI=1S/C11H15FN2O2.ClH/c1-3-16-11(15)9(12)10(13)8-6-4-5-7(2)14-8;/h4-6,9-10H,3,13H2,1-2H3;1H/t9?,10-;/m1./s1
InChIKeyCXKJRGSLUFMJGP-FJYJDOHQSA-N
MW262.71 g/mol
LogP1.71
Rot. Bonds4

About ethyl (3R)-3-amino-2-fluoro-3-(6-methyl-2-pyridinyl)propanoate;hydrochloride

ethyl (3R)-3-amino-2-fluoro-3-(6-methyl-2-pyridinyl)propanoate;hydrochloride (PubChem CID 171243263) has the molecular formula C11H16ClFN2O2 and a molecular weight of 262.71 g/mol. Its IUPAC name is ethyl (3R)-3-amino-2-fluoro-3-(6-methyl-2-pyridinyl)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl (3R)-3-amino-2-fluoro-3-(6-methyl-2-pyridinyl)propanoate;hydrochloride
PubChem CID171243263
Molecular FormulaC11H16ClFN2O2
Molecular Weight262.71 g/mol
Exact Mass262.09
IUPAC Nameethyl (3R)-3-amino-2-fluoro-3-(6-methyl-2-pyridinyl)propanoate;hydrochloride
SMILESCCOC(=O)C(F)[C@H](N)c1cccc(C)n1.Cl
InChIInChI=1S/C11H15FN2O2.ClH/c1-3-16-11(15)9(12)10(13)8-6-4-5-7(2)14-8;/h4-6,9-10H,3,13H2,1-2H3;1H/t9?,10-;/m1./s1
InChIKeyCXKJRGSLUFMJGP-FJYJDOHQSA-N
XLogP1.71
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-3-amino-3-(6-bromo-2-pyridinyl)-2-fluoropropanoate
CID 171240797
ethyl 2-amino-2-(6-methyl-2-pyridinyl)acetate
CID 3937325
ethyl (3S)-3-amino-2,2-difluoro-3-(6-methyl-2-pyridinyl)propanoate;hydrochloride
CID 171249987
ethyl (3R)-3-amino-3-(2,6-dimethoxyphenyl)-2-fluoropropanoate;hydrochloride
CID 171240018
ethyl (3S)-3-amino-3-(2,3-dimethylphenyl)-2-fluoropropanoate;hydrochloride
CID 171247236
ethyl (3S)-3-amino-3-(2,3-difluorophenyl)-2-fluoropropanoate;hydrochloride
CID 171247764
ethyl (3S)-3-amino-2-fluoro-3-(3-fluoro-2-methylphenyl)propanoate;hydrochloride
CID 171247677
ethyl (3R)-3-amino-2-fluoro-3-(4-methoxyphenyl)propanoate;hydrochloride
CID 171239902
ethyl (3R)-3-amino-2-fluoro-3-(1H-pyrrol-2-yl)propanoate;hydrochloride
CID 171240216
ethyl (3S)-3-amino-3-(3-chlorophenyl)-2-fluoropropanoate;hydrochloride
CID 171246111
ethyl (3S)-3-amino-3-(3-bromophenyl)-2-fluoropropanoate;hydrochloride
CID 171245971
ethyl (3R)-3-amino-3-(3-bromophenyl)-2-fluoropropanoate;hydrochloride
CID 171239258

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-2-fluoro-3-(6-methyl-2-pyridinyl)propanoate;hydrochloride?
The IUPAC name of ethyl (3R)-3-amino-2-fluoro-3-(6-methyl-2-pyridinyl)propanoate;hydrochloride (CID 171243263) is ethyl (3R)-3-amino-2-fluoro-3-(6-methyl-2-pyridinyl)propanoate;hydrochloride.
What is the SMILES notation for ethyl (3R)-3-amino-2-fluoro-3-(6-methyl-2-pyridinyl)propanoate;hydrochloride?
The canonical SMILES for ethyl (3R)-3-amino-2-fluoro-3-(6-methyl-2-pyridinyl)propanoate;hydrochloride is CCOC(=O)C(F)[C@H](N)c1cccc(C)n1.Cl.
What is the InChIKey of ethyl (3R)-3-amino-2-fluoro-3-(6-methyl-2-pyridinyl)propanoate;hydrochloride?
The InChIKey is CXKJRGSLUFMJGP-FJYJDOHQSA-N. The full InChI is InChI=1S/C11H15FN2O2.ClH/c1-3-16-11(15)9(12)10(13)8-6-4-5-7(2)14-8;/h4-6,9-10H,3,13H2,1-2H3;1H/t9?,10-;/m1./s1.
What are the key properties of ethyl (3R)-3-amino-2-fluoro-3-(6-methyl-2-pyridinyl)propanoate;hydrochloride?
ethyl (3R)-3-amino-2-fluoro-3-(6-methyl-2-pyridinyl)propanoate;hydrochloride has a molecular weight of 262.71 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-amino-2-fluoro-3-(6-methyl-2-pyridinyl)propanoate;hydrochloride is sourced from PubChem (CID 171243263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).