(2S,4S)-4-amino-2-fluoro-5-oxohexanamide

C6H11FN2O2 — CID 89181967

IUPAC(2S,4S)-4-amino-2-fluoro-5-oxohexanamide
SMILESCC(=O)[C@@H](N)C[C@H](F)C(N)=O
InChIInChI=1S/C6H11FN2O2/c1-3(10)5(8)2-4(7)6(9)11/h4-5H,2,8H2,1H3,(H2,9,11)/t4-,5-/m0/s1
InChIKeyOXGSAYCJLFZZJV-WHFBIAKZSA-N
MW162.16 g/mol
LogP-0.88
Rot. Bonds4

About (2S,4S)-4-amino-2-fluoro-5-oxohexanamide

(2S,4S)-4-amino-2-fluoro-5-oxohexanamide (PubChem CID 89181967) has the molecular formula C6H11FN2O2 and a molecular weight of 162.16 g/mol. Its IUPAC name is (2S,4S)-4-amino-2-fluoro-5-oxohexanamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-2-fluoro-5-oxohexanamide
PubChem CID89181967
Molecular FormulaC6H11FN2O2
Molecular Weight162.16 g/mol
Exact Mass162.08
IUPAC Name(2S,4S)-4-amino-2-fluoro-5-oxohexanamide
SMILESCC(=O)[C@@H](N)C[C@H](F)C(N)=O
InChIInChI=1S/C6H11FN2O2/c1-3(10)5(8)2-4(7)6(9)11/h4-5H,2,8H2,1H3,(H2,9,11)/t4-,5-/m0/s1
InChIKeyOXGSAYCJLFZZJV-WHFBIAKZSA-N
XLogP-0.88
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-2-fluoro-5-oxohexanamide?
The IUPAC name of (2S,4S)-4-amino-2-fluoro-5-oxohexanamide (CID 89181967) is (2S,4S)-4-amino-2-fluoro-5-oxohexanamide.
What is the SMILES notation for (2S,4S)-4-amino-2-fluoro-5-oxohexanamide?
The canonical SMILES for (2S,4S)-4-amino-2-fluoro-5-oxohexanamide is CC(=O)[C@@H](N)C[C@H](F)C(N)=O.
What is the InChIKey of (2S,4S)-4-amino-2-fluoro-5-oxohexanamide?
The InChIKey is OXGSAYCJLFZZJV-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H11FN2O2/c1-3(10)5(8)2-4(7)6(9)11/h4-5H,2,8H2,1H3,(H2,9,11)/t4-,5-/m0/s1.
What are the key properties of (2S,4S)-4-amino-2-fluoro-5-oxohexanamide?
(2S,4S)-4-amino-2-fluoro-5-oxohexanamide has a molecular weight of 162.16 g/mol, XLogP of -0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-2-fluoro-5-oxohexanamide is sourced from PubChem (CID 89181967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).