(2S)-2-amino-4-fluoro-5-methylhexanoic acid

C7H14FNO2 — CID 45082488

IUPAC(2S)-2-amino-4-fluoro-5-methylhexanoic acid
SMILESCC(C)C(F)C[C@H](N)C(=O)O
InChIInChI=1S/C7H14FNO2/c1-4(2)5(8)3-6(9)7(10)11/h4-6H,3,9H2,1-2H3,(H,10,11)/t5?,6-/m0/s1
InChIKeyGCNHWLOCMGYYBW-GDVGLLTNSA-N
MW163.19 g/mol
LogP0.78
Rot. Bonds4

About (2S)-2-amino-4-fluoro-5-methylhexanoic acid

(2S)-2-amino-4-fluoro-5-methylhexanoic acid (PubChem CID 45082488) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is (2S)-2-amino-4-fluoro-5-methylhexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-fluoro-5-methylhexanoic acid
PubChem CID45082488
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name(2S)-2-amino-4-fluoro-5-methylhexanoic acid
SMILESCC(C)C(F)C[C@H](N)C(=O)O
InChIInChI=1S/C7H14FNO2/c1-4(2)5(8)3-6(9)7(10)11/h4-6H,3,9H2,1-2H3,(H,10,11)/t5?,6-/m0/s1
InChIKeyGCNHWLOCMGYYBW-GDVGLLTNSA-N
XLogP0.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-4-fluoro-5-methylhexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4R)-2-amino-4-fluoropentanoic acid
CID 55283897
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
(2S,4S)-2-amino-5-fluoro-4-methylpentanoic acid
CID 15227560
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
2-amino-4-methylpentanoic acid;chromium
CID 88640601
2-amino-4-hydroxypentanoic acid
CID 14021586
(2S)-2-amino-4,4-difluorobutanoic acid;hydrochloride
CID 87593555
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
(2S)-2-amino-4-deuterio-4-methylpentanoic acid
CID 71309041
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319
(2S)-2-amino-4-methylpentanoic acid;oxovanadium
CID 175017880

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-fluoro-5-methylhexanoic acid?
The IUPAC name of (2S)-2-amino-4-fluoro-5-methylhexanoic acid (CID 45082488) is (2S)-2-amino-4-fluoro-5-methylhexanoic acid.
What is the SMILES notation for (2S)-2-amino-4-fluoro-5-methylhexanoic acid?
The canonical SMILES for (2S)-2-amino-4-fluoro-5-methylhexanoic acid is CC(C)C(F)C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-fluoro-5-methylhexanoic acid?
The InChIKey is GCNHWLOCMGYYBW-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-4(2)5(8)3-6(9)7(10)11/h4-6H,3,9H2,1-2H3,(H,10,11)/t5?,6-/m0/s1.
What are the key properties of (2S)-2-amino-4-fluoro-5-methylhexanoic acid?
(2S)-2-amino-4-fluoro-5-methylhexanoic acid has a molecular weight of 163.19 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-fluoro-5-methylhexanoic acid is sourced from PubChem (CID 45082488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).