[(2S)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium

C11H15F2N2O+ — CID 8688014

IUPAC[(2S)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
SMILESC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(N)=O
InChIInChI=1S/C11H14F2N2O/c1-6(15-7(2)11(14)16)9-4-3-8(12)5-10(9)13/h3-7,15H,1-2H3,(H2,14,16)/p+1/t6-,7-/m0/s1
InChIKeyFBCMTJNMYFJFPR-BQBZGAKWSA-O
MW229.25 g/mol
LogP0.46
Rot. Bonds4

About [(2S)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium

[(2S)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium (PubChem CID 8688014) has the molecular formula C11H15F2N2O+ and a molecular weight of 229.25 g/mol. Its IUPAC name is [(2S)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[(2S)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
PubChem CID8688014
Molecular FormulaC11H15F2N2O+
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name[(2S)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
SMILESC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(N)=O
InChIInChI=1S/C11H14F2N2O/c1-6(15-7(2)11(14)16)9-4-3-8(12)5-10(9)13/h3-7,15H,1-2H3,(H2,14,16)/p+1/t6-,7-/m0/s1
InChIKeyFBCMTJNMYFJFPR-BQBZGAKWSA-O
XLogP0.46
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium
CID 9368913
[(1R)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
CID 9368994
(1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one
CID 101087572
1-(2,4-difluorophenyl)ethyl acetate
CID 141098399
[(1S)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium
CID 8688621
2-(2,5-difluorophenyl)propanamide
CID 141213802
2-(2,4-difluorophenyl)propanoyl chloride
CID 117047610
[1-carbamoyloxy-1-(2,4-difluorophenyl)propan-2-yl] carbamate
CID 123475451
3-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 79729834
3-(2,4-difluorophenyl)-3-hydroxypropanamide
CID 69415011
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium
CID 9369219

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium?
The IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium (CID 8688014) is [(2S)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium.
What is the SMILES notation for [(2S)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium?
The canonical SMILES for [(2S)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium is C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(N)=O.
What is the InChIKey of [(2S)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium?
The InChIKey is FBCMTJNMYFJFPR-BQBZGAKWSA-O. The full InChI is InChI=1S/C11H14F2N2O/c1-6(15-7(2)11(14)16)9-4-3-8(12)5-10(9)13/h3-7,15H,1-2H3,(H2,14,16)/p+1/t6-,7-/m0/s1.
What are the key properties of [(2S)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium?
[(2S)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium has a molecular weight of 229.25 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium is sourced from PubChem (CID 8688014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).