[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate

C13H16FNO4 — CID 8601395

IUPAC[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
SMILESCCNC(=O)[C@H](C)OC(=O)COc1ccc(F)cc1
InChIInChI=1S/C13H16FNO4/c1-3-15-13(17)9(2)19-12(16)8-18-11-6-4-10(14)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,15,17)/t9-/m0/s1
InChIKeyWIEHWRQGOIFBQT-VIFPVBQESA-N
MW269.27 g/mol
LogP1.27
Rot. Bonds6

About [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate

[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate (PubChem CID 8601395) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate.

Molecular Properties

Compound Name[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
PubChem CID8601395
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
SMILESCCNC(=O)[C@H](C)OC(=O)COc1ccc(F)cc1
InChIInChI=1S/C13H16FNO4/c1-3-15-13(17)9(2)19-12(16)8-18-11-6-4-10(14)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,15,17)/t9-/m0/s1
InChIKeyWIEHWRQGOIFBQT-VIFPVBQESA-N
XLogP1.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791453
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[4-(1,3-dithiolan-2-yl)phenoxy]acetate
CID 8914154
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791456
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-bromophenoxy)acetate
CID 7842589
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 7843093
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791568
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791471
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791474
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate
CID 7846685
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate
CID 46678709
methyl 2-(4-fluorophenoxy)acetate
CID 580550
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7578462

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate?
The IUPAC name of [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate (CID 8601395) is [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate.
What is the SMILES notation for [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate?
The canonical SMILES for [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate is CCNC(=O)[C@H](C)OC(=O)COc1ccc(F)cc1.
What is the InChIKey of [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate?
The InChIKey is WIEHWRQGOIFBQT-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16FNO4/c1-3-15-13(17)9(2)19-12(16)8-18-11-6-4-10(14)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,15,17)/t9-/m0/s1.
What are the key properties of [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate?
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate has a molecular weight of 269.27 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate is sourced from PubChem (CID 8601395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).