(2S,4S)-2-amino-5-fluoro-4-methylpentanoic acid

C6H12FNO2 — CID 15227560

IUPAC(2S,4S)-2-amino-5-fluoro-4-methylpentanoic acid
SMILESC[C@H](CF)C[C@H](N)C(=O)O
InChIInChI=1S/C6H12FNO2/c1-4(3-7)2-5(8)6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)/t4-,5-/m0/s1
InChIKeyFHOARJRQRXAPOF-WHFBIAKZSA-N
MW149.16 g/mol
LogP0.39
Rot. Bonds4

About (2S,4S)-2-amino-5-fluoro-4-methylpentanoic acid

(2S,4S)-2-amino-5-fluoro-4-methylpentanoic acid (PubChem CID 15227560) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is (2S,4S)-2-amino-5-fluoro-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S,4S)-2-amino-5-fluoro-4-methylpentanoic acid
PubChem CID15227560
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Name(2S,4S)-2-amino-5-fluoro-4-methylpentanoic acid
SMILESC[C@H](CF)C[C@H](N)C(=O)O
InChIInChI=1S/C6H12FNO2/c1-4(3-7)2-5(8)6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)/t4-,5-/m0/s1
InChIKeyFHOARJRQRXAPOF-WHFBIAKZSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4R)-2-amino-4-fluoropentanoic acid
CID 55283897
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-amino-4-methylpentanoic acid;chromium
CID 88640601
2-amino-4-hydroxypentanoic acid
CID 14021586
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
CID 6369563
CID 6369563
(2S)-2-amino-4-fluoro-5-methylhexanoic acid
CID 45082488
(2S)-2-amino-4-deuterio-4-methylpentanoic acid
CID 71309041
(2S)-2-amino-4-methylpentanoic acid;oxovanadium
CID 175017880
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319
2-amino-4-hydroxypentanoic acid;ethane
CID 143364485

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-amino-5-fluoro-4-methylpentanoic acid?
The IUPAC name of (2S,4S)-2-amino-5-fluoro-4-methylpentanoic acid (CID 15227560) is (2S,4S)-2-amino-5-fluoro-4-methylpentanoic acid.
What is the SMILES notation for (2S,4S)-2-amino-5-fluoro-4-methylpentanoic acid?
The canonical SMILES for (2S,4S)-2-amino-5-fluoro-4-methylpentanoic acid is C[C@H](CF)C[C@H](N)C(=O)O.
What is the InChIKey of (2S,4S)-2-amino-5-fluoro-4-methylpentanoic acid?
The InChIKey is FHOARJRQRXAPOF-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-4(3-7)2-5(8)6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)/t4-,5-/m0/s1.
What are the key properties of (2S,4S)-2-amino-5-fluoro-4-methylpentanoic acid?
(2S,4S)-2-amino-5-fluoro-4-methylpentanoic acid has a molecular weight of 149.16 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-amino-5-fluoro-4-methylpentanoic acid is sourced from PubChem (CID 15227560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).