(3R,4R)-5-amino-4-fluoro-3-hydroxypentan-2-one

C5H10FNO2 — CID 152889116

IUPAC(3R,4R)-5-amino-4-fluoro-3-hydroxypentan-2-one
SMILESCC(=O)[C@@H](O)[C@H](F)CN
InChIInChI=1S/C5H10FNO2/c1-3(8)5(9)4(6)2-7/h4-5,9H,2,7H2,1H3/t4-,5-/m1/s1
InChIKeyUDCCDCNJMBBQRL-RFZPGFLSSA-N
MW135.14 g/mol
LogP-0.77
Rot. Bonds3

About (3R,4R)-5-amino-4-fluoro-3-hydroxypentan-2-one

(3R,4R)-5-amino-4-fluoro-3-hydroxypentan-2-one (PubChem CID 152889116) has the molecular formula C5H10FNO2 and a molecular weight of 135.14 g/mol. Its IUPAC name is (3R,4R)-5-amino-4-fluoro-3-hydroxypentan-2-one.

Molecular Properties

Compound Name(3R,4R)-5-amino-4-fluoro-3-hydroxypentan-2-one
PubChem CID152889116
Molecular FormulaC5H10FNO2
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Name(3R,4R)-5-amino-4-fluoro-3-hydroxypentan-2-one
SMILESCC(=O)[C@@H](O)[C@H](F)CN
InChIInChI=1S/C5H10FNO2/c1-3(8)5(9)4(6)2-7/h4-5,9H,2,7H2,1H3/t4-,5-/m1/s1
InChIKeyUDCCDCNJMBBQRL-RFZPGFLSSA-N
XLogP-0.77
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-amino-4-fluoro-3-hydroxypentan-2-one?
The IUPAC name of (3R,4R)-5-amino-4-fluoro-3-hydroxypentan-2-one (CID 152889116) is (3R,4R)-5-amino-4-fluoro-3-hydroxypentan-2-one.
What is the SMILES notation for (3R,4R)-5-amino-4-fluoro-3-hydroxypentan-2-one?
The canonical SMILES for (3R,4R)-5-amino-4-fluoro-3-hydroxypentan-2-one is CC(=O)[C@@H](O)[C@H](F)CN.
What is the InChIKey of (3R,4R)-5-amino-4-fluoro-3-hydroxypentan-2-one?
The InChIKey is UDCCDCNJMBBQRL-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H10FNO2/c1-3(8)5(9)4(6)2-7/h4-5,9H,2,7H2,1H3/t4-,5-/m1/s1.
What are the key properties of (3R,4R)-5-amino-4-fluoro-3-hydroxypentan-2-one?
(3R,4R)-5-amino-4-fluoro-3-hydroxypentan-2-one has a molecular weight of 135.14 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-5-amino-4-fluoro-3-hydroxypentan-2-one is sourced from PubChem (CID 152889116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).