ethyl (2R)-2-amino-2-fluoropropanoate

C5H10FNO2 — CID 57210654

IUPACethyl (2R)-2-amino-2-fluoropropanoate
SMILESCCOC(=O)[C@](C)(N)F
InChIInChI=1S/C5H10FNO2/c1-3-9-4(8)5(2,6)7/h3,7H2,1-2H3/t5-/m0/s1
InChIKeyRPBVZTBVNMXYRD-YFKPBYRVSA-N
MW135.14 g/mol
LogP0.19
Rot. Bonds2

About ethyl (2R)-2-amino-2-fluoropropanoate

ethyl (2R)-2-amino-2-fluoropropanoate (PubChem CID 57210654) has the molecular formula C5H10FNO2 and a molecular weight of 135.14 g/mol. Its IUPAC name is ethyl (2R)-2-amino-2-fluoropropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-2-fluoropropanoate
PubChem CID57210654
Molecular FormulaC5H10FNO2
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Nameethyl (2R)-2-amino-2-fluoropropanoate
SMILESCCOC(=O)[C@](C)(N)F
InChIInChI=1S/C5H10FNO2/c1-3-9-4(8)5(2,6)7/h3,7H2,1-2H3/t5-/m0/s1
InChIKeyRPBVZTBVNMXYRD-YFKPBYRVSA-N
XLogP0.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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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 (2S)-2-amino-2-(trifluoromethyl)butanoate
CID 10821843
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CID 141019550
ethyl 2-amino-2-methylbutanoate;hydrochloride
CID 175342051
ethyl (2S)-2-amino-2-methyl-3-sulfanylpropanoate
CID 45082477
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CID 154013298

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-2-fluoropropanoate?
The IUPAC name of ethyl (2R)-2-amino-2-fluoropropanoate (CID 57210654) is ethyl (2R)-2-amino-2-fluoropropanoate.
What is the SMILES notation for ethyl (2R)-2-amino-2-fluoropropanoate?
The canonical SMILES for ethyl (2R)-2-amino-2-fluoropropanoate is CCOC(=O)[C@](C)(N)F.
What is the InChIKey of ethyl (2R)-2-amino-2-fluoropropanoate?
The InChIKey is RPBVZTBVNMXYRD-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H10FNO2/c1-3-9-4(8)5(2,6)7/h3,7H2,1-2H3/t5-/m0/s1.
What are the key properties of ethyl (2R)-2-amino-2-fluoropropanoate?
ethyl (2R)-2-amino-2-fluoropropanoate has a molecular weight of 135.14 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-2-fluoropropanoate is sourced from PubChem (CID 57210654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).