(2S,3S)-2-amino-5-fluoro-3-methylpentanoic acid

C6H12FNO2 — CID 54172835

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

About (2S,3S)-2-amino-5-fluoro-3-methylpentanoic acid

(2S,3S)-2-amino-5-fluoro-3-methylpentanoic acid (PubChem CID 54172835) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is (2S,3S)-2-amino-5-fluoro-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-amino-5-fluoro-3-methylpentanoic acid
PubChem CID54172835
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Name(2S,3S)-2-amino-5-fluoro-3-methylpentanoic acid
SMILESC[C@@H](CCF)[C@H](N)C(=O)O
InChIInChI=1S/C6H12FNO2/c1-4(2-3-7)5(8)6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)/t4-,5-/m0/s1
InChIKeyOWFHUNKSJOHTHB-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)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride
CID 88817643
(2S,3S)-2,6-diamino-3-methylhexanoic acid
CID 147560820
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
2-amino-3-methyl-5-selanylpentanoic acid
CID 173165921
CID 58481212
CID 58481212
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
2-amino-3-methylpentanoic acid;azane
CID 87185080
2-amino-3-methylpentanoic acid;manganese
CID 175109832
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
2-aminoacetic acid;(2R)-2-amino-3-methylpentanoic acid
CID 87257190

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-5-fluoro-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-amino-5-fluoro-3-methylpentanoic acid (CID 54172835) is (2S,3S)-2-amino-5-fluoro-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-amino-5-fluoro-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-amino-5-fluoro-3-methylpentanoic acid is C[C@@H](CCF)[C@H](N)C(=O)O.
What is the InChIKey of (2S,3S)-2-amino-5-fluoro-3-methylpentanoic acid?
The InChIKey is OWFHUNKSJOHTHB-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-4(2-3-7)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,3S)-2-amino-5-fluoro-3-methylpentanoic acid?
(2S,3S)-2-amino-5-fluoro-3-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,3S)-2-amino-5-fluoro-3-methylpentanoic acid is sourced from PubChem (CID 54172835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).