ethyl (2R)-3-amino-2-fluoro-2-methylpropanoate

C6H12FNO2 — CID 14273517

IUPACethyl (2R)-3-amino-2-fluoro-2-methylpropanoate
SMILESCCOC(=O)[C@](C)(F)CN
InChIInChI=1S/C6H12FNO2/c1-3-10-5(9)6(2,7)4-8/h3-4,8H2,1-2H3/t6-/m1/s1
InChIKeyWOQQZSCOSCJFEP-ZCFIWIBFSA-N
MW149.16 g/mol
LogP0.24
Rot. Bonds3

About ethyl (2R)-3-amino-2-fluoro-2-methylpropanoate

ethyl (2R)-3-amino-2-fluoro-2-methylpropanoate (PubChem CID 14273517) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is ethyl (2R)-3-amino-2-fluoro-2-methylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-3-amino-2-fluoro-2-methylpropanoate
PubChem CID14273517
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Nameethyl (2R)-3-amino-2-fluoro-2-methylpropanoate
SMILESCCOC(=O)[C@](C)(F)CN
InChIInChI=1S/C6H12FNO2/c1-3-10-5(9)6(2,7)4-8/h3-4,8H2,1-2H3/t6-/m1/s1
InChIKeyWOQQZSCOSCJFEP-ZCFIWIBFSA-N
XLogP0.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-fluoro-2-methylpentanoate
CID 157367290
ethyl 2,3-difluoro-2-methylpropanoate
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ethyl (2R)-2-amino-2-fluoropropanoate
CID 57210654
triethyl 2-fluoroethane-1,1,1-tricarboxylate
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diethyl 2,2,4,4-tetrafluoro-3-oxopentanedioate
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ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate
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ethyl 2-dimethylsilyl-2-fluoropropanoate
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ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl 3,3,3-trifluoro-2,2-dihydroxypropanoate
CID 154013298
ethyl 2-(aminomethyl)-4,4-difluoro-2-methylbutanoate
CID 106486941
3-O-tert-butyl 1-O-ethyl (2R)-2-fluoro-2-methylpropanedioate
CID 126688340
1-ethoxy-2-fluoro-1-oxopropane-2-sulfonic acid
CID 90268260

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3-amino-2-fluoro-2-methylpropanoate?
The IUPAC name of ethyl (2R)-3-amino-2-fluoro-2-methylpropanoate (CID 14273517) is ethyl (2R)-3-amino-2-fluoro-2-methylpropanoate.
What is the SMILES notation for ethyl (2R)-3-amino-2-fluoro-2-methylpropanoate?
The canonical SMILES for ethyl (2R)-3-amino-2-fluoro-2-methylpropanoate is CCOC(=O)[C@](C)(F)CN.
What is the InChIKey of ethyl (2R)-3-amino-2-fluoro-2-methylpropanoate?
The InChIKey is WOQQZSCOSCJFEP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-3-10-5(9)6(2,7)4-8/h3-4,8H2,1-2H3/t6-/m1/s1.
What are the key properties of ethyl (2R)-3-amino-2-fluoro-2-methylpropanoate?
ethyl (2R)-3-amino-2-fluoro-2-methylpropanoate has a molecular weight of 149.16 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3-amino-2-fluoro-2-methylpropanoate is sourced from PubChem (CID 14273517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).