2-[fluoro(methyl)amino]-3-hydroxy-2,3-dimethylpentanoic acid

C8H16FNO3 — CID 175060409

IUPAC2-[fluoro(methyl)amino]-3-hydroxy-2,3-dimethylpentanoic acid
SMILESCCC(C)(O)C(C)(C(=O)O)N(C)F
InChIInChI=1S/C8H16FNO3/c1-5-7(2,13)8(3,6(11)12)10(4)9/h13H,5H2,1-4H3,(H,11,12)
InChIKeyJMMKZUJJEZEZHV-UHFFFAOYSA-N
MW193.22 g/mol
LogP0.81
Rot. Bonds4

About 2-[fluoro(methyl)amino]-3-hydroxy-2,3-dimethylpentanoic acid

2-[fluoro(methyl)amino]-3-hydroxy-2,3-dimethylpentanoic acid (PubChem CID 175060409) has the molecular formula C8H16FNO3 and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-[fluoro(methyl)amino]-3-hydroxy-2,3-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[fluoro(methyl)amino]-3-hydroxy-2,3-dimethylpentanoic acid
PubChem CID175060409
Molecular FormulaC8H16FNO3
Molecular Weight193.22 g/mol
Exact Mass193.11
IUPAC Name2-[fluoro(methyl)amino]-3-hydroxy-2,3-dimethylpentanoic acid
SMILESCCC(C)(O)C(C)(C(=O)O)N(C)F
InChIInChI=1S/C8H16FNO3/c1-5-7(2,13)8(3,6(11)12)10(4)9/h13H,5H2,1-4H3,(H,11,12)
InChIKeyJMMKZUJJEZEZHV-UHFFFAOYSA-N
XLogP0.81
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-[(2-ethyl-2-hydroxybutyl)-methylamino]-2-methylpropanoic acid
CID 114494902
2-(fluoromethyl)-2-hydroxybutanoic acid
CID 22639794
2-fluoro-2-methylbutanoic acid
CID 11366977
(2S)-2-fluoro-2-methylbutanoic acid
CID 18651777
2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid
CID 88755093
2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid
CID 83694809
N,N-dimethylethanamine;2,2,2-trifluoroacetic acid
CID 118626568
(3R)-2,3-dimethylpentane-2,3-diol
CID 118219388
(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropanoic acid
CID 55302369
CID 175912914
CID 175912914
2,2-dimethylbutanoic acid;methane
CID 159782886
2-[ethylsulfamoyl(methyl)amino]-2-methylpropanoic acid
CID 114805959

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(methyl)amino]-3-hydroxy-2,3-dimethylpentanoic acid?
The IUPAC name of 2-[fluoro(methyl)amino]-3-hydroxy-2,3-dimethylpentanoic acid (CID 175060409) is 2-[fluoro(methyl)amino]-3-hydroxy-2,3-dimethylpentanoic acid.
What is the SMILES notation for 2-[fluoro(methyl)amino]-3-hydroxy-2,3-dimethylpentanoic acid?
The canonical SMILES for 2-[fluoro(methyl)amino]-3-hydroxy-2,3-dimethylpentanoic acid is CCC(C)(O)C(C)(C(=O)O)N(C)F.
What is the InChIKey of 2-[fluoro(methyl)amino]-3-hydroxy-2,3-dimethylpentanoic acid?
The InChIKey is JMMKZUJJEZEZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO3/c1-5-7(2,13)8(3,6(11)12)10(4)9/h13H,5H2,1-4H3,(H,11,12).
What are the key properties of 2-[fluoro(methyl)amino]-3-hydroxy-2,3-dimethylpentanoic acid?
2-[fluoro(methyl)amino]-3-hydroxy-2,3-dimethylpentanoic acid has a molecular weight of 193.22 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(methyl)amino]-3-hydroxy-2,3-dimethylpentanoic acid is sourced from PubChem (CID 175060409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).