(2S)-2-amino-4-fluorosulfanyl-4-methylpentanoic acid

C6H12FNO2S — CID 142291582

IUPAC(2S)-2-amino-4-fluorosulfanyl-4-methylpentanoic acid
SMILESCC(C)(C[C@H](N)C(=O)O)SF
InChIInChI=1S/C6H12FNO2S/c1-6(2,11-7)3-4(8)5(9)10/h4H,3,8H2,1-2H3,(H,9,10)/t4-/m0/s1
InChIKeyRZJAGPJVKOXYGA-BYPYZUCNSA-N
MW181.23 g/mol
LogP1.18
Rot. Bonds4

About (2S)-2-amino-4-fluorosulfanyl-4-methylpentanoic acid

(2S)-2-amino-4-fluorosulfanyl-4-methylpentanoic acid (PubChem CID 142291582) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is (2S)-2-amino-4-fluorosulfanyl-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-fluorosulfanyl-4-methylpentanoic acid
PubChem CID142291582
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name(2S)-2-amino-4-fluorosulfanyl-4-methylpentanoic acid
SMILESCC(C)(C[C@H](N)C(=O)O)SF
InChIInChI=1S/C6H12FNO2S/c1-6(2,11-7)3-4(8)5(9)10/h4H,3,8H2,1-2H3,(H,9,10)/t4-/m0/s1
InChIKeyRZJAGPJVKOXYGA-BYPYZUCNSA-N
XLogP1.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4,4-difluoropentanoic acid;hydrochloride
CID 87665395
2-amino-4,4-dimethylpentanoic acid;chloromethane
CID 175588190
(2S)-2,4-diamino-4-methylpentanoic acid
CID 54315966
(2S)-2-amino-5-fluoro-4,4-dimethylpentanoic acid
CID 129061039
2-amino-4,4,6,6,8-pentamethylnonanoic acid
CID 145315535
(2R)-2-amino-3-(2-methyl-4-oxopentan-2-yl)sulfanylpropanoic acid
CID 91474613
(2S)-2-amino-5,5,5-trideuterio-4,4-dimethylpentanoic acid
CID 162641870
(2R)-2-amino-3-aminosulfanylpropanoic acid
CID 102214571
(2S)-2-amino-3-aminosulfanylpropanoic acid
CID 175881815
(2S)-2-amino-3-[[(2S)-2-amino-2-carboxyethyl]disulfanyl]-3-methylbutanoic acid
CID 98005352
(2S)-2-amino-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoic acid
CID 129061051
2-amino-4-(difluoromethyl)-4-methylheptanoic acid
CID 129061110

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-fluorosulfanyl-4-methylpentanoic acid?
The IUPAC name of (2S)-2-amino-4-fluorosulfanyl-4-methylpentanoic acid (CID 142291582) is (2S)-2-amino-4-fluorosulfanyl-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-amino-4-fluorosulfanyl-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-amino-4-fluorosulfanyl-4-methylpentanoic acid is CC(C)(C[C@H](N)C(=O)O)SF.
What is the InChIKey of (2S)-2-amino-4-fluorosulfanyl-4-methylpentanoic acid?
The InChIKey is RZJAGPJVKOXYGA-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H12FNO2S/c1-6(2,11-7)3-4(8)5(9)10/h4H,3,8H2,1-2H3,(H,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-4-fluorosulfanyl-4-methylpentanoic acid?
(2S)-2-amino-4-fluorosulfanyl-4-methylpentanoic acid has a molecular weight of 181.23 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-fluorosulfanyl-4-methylpentanoic acid is sourced from PubChem (CID 142291582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).