(2S)-4-amino-2-(2-(18F)fluoroethoxy)-5-oxohexanamide

C8H15FN2O3 — CID 58331122

IUPAC(2S)-4-amino-2-(2-(18F)fluoroethoxy)-5-oxohexanamide
SMILESCC(=O)C(N)C[C@H](OCC[18F])C(N)=O
InChIInChI=1S/C8H15FN2O3/c1-5(12)6(10)4-7(8(11)13)14-3-2-9/h6-7H,2-4,10H2,1H3,(H2,11,13)/t6?,7-/m0/s1/i9-1
InChIKeyLQBPXEQCTCDEPR-MRDLXLLDSA-N
MW205.22 g/mol
LogP-0.87
Rot. Bonds7

About (2S)-4-amino-2-(2-(18F)fluoroethoxy)-5-oxohexanamide

(2S)-4-amino-2-(2-(18F)fluoroethoxy)-5-oxohexanamide (PubChem CID 58331122) has the molecular formula C8H15FN2O3 and a molecular weight of 205.22 g/mol. Its IUPAC name is (2S)-4-amino-2-(2-(18F)fluoroethoxy)-5-oxohexanamide.

Molecular Properties

Compound Name(2S)-4-amino-2-(2-(18F)fluoroethoxy)-5-oxohexanamide
PubChem CID58331122
Molecular FormulaC8H15FN2O3
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name(2S)-4-amino-2-(2-(18F)fluoroethoxy)-5-oxohexanamide
SMILESCC(=O)C(N)C[C@H](OCC[18F])C(N)=O
InChIInChI=1S/C8H15FN2O3/c1-5(12)6(10)4-7(8(11)13)14-3-2-9/h6-7H,2-4,10H2,1H3,(H2,11,13)/t6?,7-/m0/s1/i9-1
InChIKeyLQBPXEQCTCDEPR-MRDLXLLDSA-N
XLogP-0.87
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-(2-(18F)fluoroethoxy)-5-oxohexanamide?
The IUPAC name of (2S)-4-amino-2-(2-(18F)fluoroethoxy)-5-oxohexanamide (CID 58331122) is (2S)-4-amino-2-(2-(18F)fluoroethoxy)-5-oxohexanamide.
What is the SMILES notation for (2S)-4-amino-2-(2-(18F)fluoroethoxy)-5-oxohexanamide?
The canonical SMILES for (2S)-4-amino-2-(2-(18F)fluoroethoxy)-5-oxohexanamide is CC(=O)C(N)C[C@H](OCC[18F])C(N)=O.
What is the InChIKey of (2S)-4-amino-2-(2-(18F)fluoroethoxy)-5-oxohexanamide?
The InChIKey is LQBPXEQCTCDEPR-MRDLXLLDSA-N. The full InChI is InChI=1S/C8H15FN2O3/c1-5(12)6(10)4-7(8(11)13)14-3-2-9/h6-7H,2-4,10H2,1H3,(H2,11,13)/t6?,7-/m0/s1/i9-1.
What are the key properties of (2S)-4-amino-2-(2-(18F)fluoroethoxy)-5-oxohexanamide?
(2S)-4-amino-2-(2-(18F)fluoroethoxy)-5-oxohexanamide has a molecular weight of 205.22 g/mol, XLogP of -0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-(2-(18F)fluoroethoxy)-5-oxohexanamide is sourced from PubChem (CID 58331122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).