tert-butyl 2-[4-[(5S)-5-(aminomethyl)-1,3-oxazolidin-3-yl]-2-fluoroanilino]acetate

C16H24FN3O3 — CID 141032236

IUPACtert-butyl 2-[4-[(5S)-5-(aminomethyl)-1,3-oxazolidin-3-yl]-2-fluoroanilino]acetate
SMILESCC(C)(C)OC(=O)CNc1ccc(N2CO[C@@H](CN)C2)cc1F
InChIInChI=1S/C16H24FN3O3/c1-16(2,3)23-15(21)8-19-14-5-4-11(6-13(14)17)20-9-12(7-18)22-10-20/h4-6,12,19H,7-10,18H2,1-3H3/t12-/m0/s1
InChIKeyLXHKPBAHQCLBIN-LBPRGKRZSA-N
MW325.38 g/mol
LogP1.70
Rot. Bonds5

About tert-butyl 2-[4-[(5S)-5-(aminomethyl)-1,3-oxazolidin-3-yl]-2-fluoroanilino]acetate

tert-butyl 2-[4-[(5S)-5-(aminomethyl)-1,3-oxazolidin-3-yl]-2-fluoroanilino]acetate (PubChem CID 141032236) has the molecular formula C16H24FN3O3 and a molecular weight of 325.38 g/mol. Its IUPAC name is tert-butyl 2-[4-[(5S)-5-(aminomethyl)-1,3-oxazolidin-3-yl]-2-fluoroanilino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-[(5S)-5-(aminomethyl)-1,3-oxazolidin-3-yl]-2-fluoroanilino]acetate
PubChem CID141032236
Molecular FormulaC16H24FN3O3
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC Nametert-butyl 2-[4-[(5S)-5-(aminomethyl)-1,3-oxazolidin-3-yl]-2-fluoroanilino]acetate
SMILESCC(C)(C)OC(=O)CNc1ccc(N2CO[C@@H](CN)C2)cc1F
InChIInChI=1S/C16H24FN3O3/c1-16(2,3)23-15(21)8-19-14-5-4-11(6-13(14)17)20-9-12(7-18)22-10-20/h4-6,12,19H,7-10,18H2,1-3H3/t12-/m0/s1
InChIKeyLXHKPBAHQCLBIN-LBPRGKRZSA-N
XLogP1.70
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-5-yl]ethanamine
CID 141217231
ethyl 3-[(5S)-5-(aminomethyl)-1,3-oxazolidin-3-yl]benzoate
CID 155449703
5-(aminomethyl)-3-[3-fluoro-4-(2-methoxyethylamino)phenyl]-1,3-oxazolidin-2-one
CID 123193318
tert-butyl N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamate
CID 139949494
tert-butyl 2-(2,3,5-trifluoroanilino)acetate
CID 55138442
N-[[(5S)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68773740
[(5S)-3-[3,5-difluoro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-1,3-oxazolidin-5-yl]methanamine
CID 146310143
tert-butyl N-[[(5S)-3-[4-[2-[[4-[4-(aminomethyl)phenyl]-4-oxobutanoyl]amino]ethylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 142898133
tert-butyl 2-aminoacetate;tert-butyl 2-(2-cyano-4-methylanilino)acetate;2-fluoro-5-methylbenzonitrile
CID 158671455
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-1,3-oxazolidin-2-one;methyl 3-[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate
CID 157352666
[3-[4-[4-(2-aminoacetyl)piperazin-1-yl]-3,5-difluorophenyl]-1,3-oxazolidin-5-yl]methyl methyl carbonate
CID 91282647
tert-butyl N-[2-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethyl]-N-(methylamino)carbamate
CID 70891592

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[(5S)-5-(aminomethyl)-1,3-oxazolidin-3-yl]-2-fluoroanilino]acetate?
The IUPAC name of tert-butyl 2-[4-[(5S)-5-(aminomethyl)-1,3-oxazolidin-3-yl]-2-fluoroanilino]acetate (CID 141032236) is tert-butyl 2-[4-[(5S)-5-(aminomethyl)-1,3-oxazolidin-3-yl]-2-fluoroanilino]acetate.
What is the SMILES notation for tert-butyl 2-[4-[(5S)-5-(aminomethyl)-1,3-oxazolidin-3-yl]-2-fluoroanilino]acetate?
The canonical SMILES for tert-butyl 2-[4-[(5S)-5-(aminomethyl)-1,3-oxazolidin-3-yl]-2-fluoroanilino]acetate is CC(C)(C)OC(=O)CNc1ccc(N2CO[C@@H](CN)C2)cc1F.
What is the InChIKey of tert-butyl 2-[4-[(5S)-5-(aminomethyl)-1,3-oxazolidin-3-yl]-2-fluoroanilino]acetate?
The InChIKey is LXHKPBAHQCLBIN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24FN3O3/c1-16(2,3)23-15(21)8-19-14-5-4-11(6-13(14)17)20-9-12(7-18)22-10-20/h4-6,12,19H,7-10,18H2,1-3H3/t12-/m0/s1.
What are the key properties of tert-butyl 2-[4-[(5S)-5-(aminomethyl)-1,3-oxazolidin-3-yl]-2-fluoroanilino]acetate?
tert-butyl 2-[4-[(5S)-5-(aminomethyl)-1,3-oxazolidin-3-yl]-2-fluoroanilino]acetate has a molecular weight of 325.38 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[(5S)-5-(aminomethyl)-1,3-oxazolidin-3-yl]-2-fluoroanilino]acetate is sourced from PubChem (CID 141032236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).