[(2R)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]azanium

C5H12FN2O+ — CID 140645046

IUPAC[(2R)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]azanium
SMILESC[C@@H]([NH3+])C(=O)NCCF
InChIInChI=1S/C5H11FN2O/c1-4(7)5(9)8-3-2-6/h4H,2-3,7H2,1H3,(H,8,9)/p+1/t4-/m1/s1
InChIKeyZSGXAUORGBEYFK-SCSAIBSYSA-O
MW135.16 g/mol
LogP-1.30
Rot. Bonds3

About [(2R)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]azanium

[(2R)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]azanium (PubChem CID 140645046) has the molecular formula C5H12FN2O+ and a molecular weight of 135.16 g/mol. Its IUPAC name is [(2R)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]azanium
PubChem CID140645046
Molecular FormulaC5H12FN2O+
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name[(2R)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]azanium
SMILESC[C@@H]([NH3+])C(=O)NCCF
InChIInChI=1S/C5H11FN2O/c1-4(7)5(9)8-3-2-6/h4H,2-3,7H2,1H3,(H,8,9)/p+1/t4-/m1/s1
InChIKeyZSGXAUORGBEYFK-SCSAIBSYSA-O
XLogP-1.30
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-fluoroethyl)-2-hydroxypropanamide
CID 130657561
[(2S)-1-[4-[[(2S)-2-azaniumylpropanoyl]amino]butylamino]-1-oxopropan-2-yl]azanium dichloride
CID 10494630
(2R)-2-amino-N-(2-fluoroethyl)propanamide
CID 90216538
2-acetamido-N-(2-fluoroethyl)propanamide
CID 91190233
[1-(2-fluoroethylamino)-1-oxopropan-2-yl]carbamic acid
CID 90216384
(2S)-N-(2-fluoroethyl)-4-imino-2-methylbutanamide
CID 174601107
4-ethyl-N-(2-fluoroethyl)-2-methyl-5-oxohexanamide
CID 58690119
[1-(hydroxyamino)-1-oxopropan-2-yl]azanium
CID 78443389
methyl N-(2-fluoroethyl)carbamate
CID 14512865
2-bromo-N-(3-fluoropropyl)propanamide
CID 130503981
(2S)-2-(2-fluoroethylamino)propanoic acid
CID 83192654
2-amino-N-(2-fluoroethyl)-2-methylpropanamide
CID 130504084

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]azanium?
The IUPAC name of [(2R)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]azanium (CID 140645046) is [(2R)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(2R)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(2R)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]azanium is C[C@@H]([NH3+])C(=O)NCCF.
What is the InChIKey of [(2R)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]azanium?
The InChIKey is ZSGXAUORGBEYFK-SCSAIBSYSA-O. The full InChI is InChI=1S/C5H11FN2O/c1-4(7)5(9)8-3-2-6/h4H,2-3,7H2,1H3,(H,8,9)/p+1/t4-/m1/s1.
What are the key properties of [(2R)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]azanium?
[(2R)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]azanium has a molecular weight of 135.16 g/mol, XLogP of -1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 140645046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).