ethyl (3R)-3-amino-2-fluoro-3-[5-(hydroxymethyl)furan-2-yl]propanoate

C10H14FNO4 — CID 171243533

IUPACethyl (3R)-3-amino-2-fluoro-3-[5-(hydroxymethyl)furan-2-yl]propanoate
SMILESCCOC(=O)C(F)[C@H](N)c1ccc(CO)o1
InChIInChI=1S/C10H14FNO4/c1-2-15-10(14)8(11)9(12)7-4-3-6(5-13)16-7/h3-4,8-9,13H,2,5,12H2,1H3/t8?,9-/m1/s1
InChIKeyFJMXHUOSQARKPO-YGPZHTELSA-N
MW231.22 g/mol
LogP0.67
Rot. Bonds5

About ethyl (3R)-3-amino-2-fluoro-3-[5-(hydroxymethyl)furan-2-yl]propanoate

ethyl (3R)-3-amino-2-fluoro-3-[5-(hydroxymethyl)furan-2-yl]propanoate (PubChem CID 171243533) has the molecular formula C10H14FNO4 and a molecular weight of 231.22 g/mol. Its IUPAC name is ethyl (3R)-3-amino-2-fluoro-3-[5-(hydroxymethyl)furan-2-yl]propanoate.

Molecular Properties

Compound Nameethyl (3R)-3-amino-2-fluoro-3-[5-(hydroxymethyl)furan-2-yl]propanoate
PubChem CID171243533
Molecular FormulaC10H14FNO4
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Nameethyl (3R)-3-amino-2-fluoro-3-[5-(hydroxymethyl)furan-2-yl]propanoate
SMILESCCOC(=O)C(F)[C@H](N)c1ccc(CO)o1
InChIInChI=1S/C10H14FNO4/c1-2-15-10(14)8(11)9(12)7-4-3-6(5-13)16-7/h3-4,8-9,13H,2,5,12H2,1H3/t8?,9-/m1/s1
InChIKeyFJMXHUOSQARKPO-YGPZHTELSA-N
XLogP0.67
TPSA85.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3S)-3-amino-2-fluoro-3-(5-nitrofuran-2-yl)propanoate;hydrochloride
CID 171245657
(1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol
CID 130739101
ethyl (3S)-3-amino-3-(4,5-dimethylfuran-2-yl)-2-fluoropropanoate;hydrochloride
CID 171250992
1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one
CID 55292431
[5-[(R)-amino(diethoxyphosphoryl)methyl]furan-2-yl]methanol
CID 171192326
[5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride
CID 171231073
diethyl 2,3-difluorobutanedioate
CID 12868425
3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide
CID 55255526
ethyl (3S)-3-amino-3-(3-chlorophenyl)-2-fluoropropanoate
CID 171246110
ethyl (3R)-3-amino-3-(5-bromo-2-pyridinyl)-2-fluoropropanoate
CID 171240736
ethyl (3S)-3-amino-2-fluoro-3-(4-nitrophenyl)propanoate
CID 171245622
ethyl (3R)-3-amino-3-(5-ethylfuran-2-yl)propanoate
CID 62345601

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-2-fluoro-3-[5-(hydroxymethyl)furan-2-yl]propanoate?
The IUPAC name of ethyl (3R)-3-amino-2-fluoro-3-[5-(hydroxymethyl)furan-2-yl]propanoate (CID 171243533) is ethyl (3R)-3-amino-2-fluoro-3-[5-(hydroxymethyl)furan-2-yl]propanoate.
What is the SMILES notation for ethyl (3R)-3-amino-2-fluoro-3-[5-(hydroxymethyl)furan-2-yl]propanoate?
The canonical SMILES for ethyl (3R)-3-amino-2-fluoro-3-[5-(hydroxymethyl)furan-2-yl]propanoate is CCOC(=O)C(F)[C@H](N)c1ccc(CO)o1.
What is the InChIKey of ethyl (3R)-3-amino-2-fluoro-3-[5-(hydroxymethyl)furan-2-yl]propanoate?
The InChIKey is FJMXHUOSQARKPO-YGPZHTELSA-N. The full InChI is InChI=1S/C10H14FNO4/c1-2-15-10(14)8(11)9(12)7-4-3-6(5-13)16-7/h3-4,8-9,13H,2,5,12H2,1H3/t8?,9-/m1/s1.
What are the key properties of ethyl (3R)-3-amino-2-fluoro-3-[5-(hydroxymethyl)furan-2-yl]propanoate?
ethyl (3R)-3-amino-2-fluoro-3-[5-(hydroxymethyl)furan-2-yl]propanoate has a molecular weight of 231.22 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-amino-2-fluoro-3-[5-(hydroxymethyl)furan-2-yl]propanoate is sourced from PubChem (CID 171243533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).