(4S,5S)-4-amino-5-fluorohexanoic acid

C6H12FNO2 — CID 71524821

IUPAC(4S,5S)-4-amino-5-fluorohexanoic acid
SMILESC[C@H](F)[C@@H](N)CCC(=O)O
InChIInChI=1S/C6H12FNO2/c1-4(7)5(8)2-3-6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)/t4-,5-/m0/s1
InChIKeyBRMXCZLHKCLKIJ-WHFBIAKZSA-N
MW149.16 g/mol
LogP0.54
Rot. Bonds4

About (4S,5S)-4-amino-5-fluorohexanoic acid

(4S,5S)-4-amino-5-fluorohexanoic acid (PubChem CID 71524821) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is (4S,5S)-4-amino-5-fluorohexanoic acid.

Molecular Properties

Compound Name(4S,5S)-4-amino-5-fluorohexanoic acid
PubChem CID71524821
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Name(4S,5S)-4-amino-5-fluorohexanoic acid
SMILESC[C@H](F)[C@@H](N)CCC(=O)O
InChIInChI=1S/C6H12FNO2/c1-4(7)5(8)2-3-6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)/t4-,5-/m0/s1
InChIKeyBRMXCZLHKCLKIJ-WHFBIAKZSA-N
XLogP0.54
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-amino-5-fluorohexanoic acid?
The IUPAC name of (4S,5S)-4-amino-5-fluorohexanoic acid (CID 71524821) is (4S,5S)-4-amino-5-fluorohexanoic acid.
What is the SMILES notation for (4S,5S)-4-amino-5-fluorohexanoic acid?
The canonical SMILES for (4S,5S)-4-amino-5-fluorohexanoic acid is C[C@H](F)[C@@H](N)CCC(=O)O.
What is the InChIKey of (4S,5S)-4-amino-5-fluorohexanoic acid?
The InChIKey is BRMXCZLHKCLKIJ-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-4(7)5(8)2-3-6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)/t4-,5-/m0/s1.
What are the key properties of (4S,5S)-4-amino-5-fluorohexanoic acid?
(4S,5S)-4-amino-5-fluorohexanoic acid has a molecular weight of 149.16 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-amino-5-fluorohexanoic acid is sourced from PubChem (CID 71524821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).