(2S,3S)-4-fluoro-2-(methylamino)-3-tritiooxybutanoic acid

C5H10FNO3 — CID 59090067

IUPAC(2S,3S)-4-fluoro-2-(methylamino)-3-tritiooxybutanoic acid
SMILES[3H]O[C@H](CF)[C@H](NC)C(=O)O
InChIInChI=1S/C5H10FNO3/c1-7-4(5(9)10)3(8)2-6/h3-4,7-8H,2H2,1H3,(H,9,10)/t3-,4+/m1/s1/i8T
InChIKeyAALSYNCTOXLULN-QPSNPPSFSA-N
MW153.15 g/mol
LogP-1.01
Rot. Bonds5

About (2S,3S)-4-fluoro-2-(methylamino)-3-tritiooxybutanoic acid

(2S,3S)-4-fluoro-2-(methylamino)-3-tritiooxybutanoic acid (PubChem CID 59090067) has the molecular formula C5H10FNO3 and a molecular weight of 153.15 g/mol. Its IUPAC name is (2S,3S)-4-fluoro-2-(methylamino)-3-tritiooxybutanoic acid.

Molecular Properties

Compound Name(2S,3S)-4-fluoro-2-(methylamino)-3-tritiooxybutanoic acid
PubChem CID59090067
Molecular FormulaC5H10FNO3
Molecular Weight153.15 g/mol
Exact Mass153.07
IUPAC Name(2S,3S)-4-fluoro-2-(methylamino)-3-tritiooxybutanoic acid
SMILES[3H]O[C@H](CF)[C@H](NC)C(=O)O
InChIInChI=1S/C5H10FNO3/c1-7-4(5(9)10)3(8)2-6/h3-4,7-8H,2H2,1H3,(H,9,10)/t3-,4+/m1/s1/i8T
InChIKeyAALSYNCTOXLULN-QPSNPPSFSA-N
XLogP-1.01
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-fluoro-2-(methylamino)-3-tritiooxybutanoic acid?
The IUPAC name of (2S,3S)-4-fluoro-2-(methylamino)-3-tritiooxybutanoic acid (CID 59090067) is (2S,3S)-4-fluoro-2-(methylamino)-3-tritiooxybutanoic acid.
What is the SMILES notation for (2S,3S)-4-fluoro-2-(methylamino)-3-tritiooxybutanoic acid?
The canonical SMILES for (2S,3S)-4-fluoro-2-(methylamino)-3-tritiooxybutanoic acid is [3H]O[C@H](CF)[C@H](NC)C(=O)O.
What is the InChIKey of (2S,3S)-4-fluoro-2-(methylamino)-3-tritiooxybutanoic acid?
The InChIKey is AALSYNCTOXLULN-QPSNPPSFSA-N. The full InChI is InChI=1S/C5H10FNO3/c1-7-4(5(9)10)3(8)2-6/h3-4,7-8H,2H2,1H3,(H,9,10)/t3-,4+/m1/s1/i8T.
What are the key properties of (2S,3S)-4-fluoro-2-(methylamino)-3-tritiooxybutanoic acid?
(2S,3S)-4-fluoro-2-(methylamino)-3-tritiooxybutanoic acid has a molecular weight of 153.15 g/mol, XLogP of -1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-fluoro-2-(methylamino)-3-tritiooxybutanoic acid is sourced from PubChem (CID 59090067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).