(2S)-2-[fluoro(formyl)amino]-4-methylsulfanylbutanoic acid

C6H10FNO3S — CID 171476155

IUPAC(2S)-2-[fluoro(formyl)amino]-4-methylsulfanylbutanoic acid
SMILESCSCC[C@@H](C(=O)O)N(F)C=O
InChIInChI=1S/C6H10FNO3S/c1-12-3-2-5(6(10)11)8(7)4-9/h4-5H,2-3H2,1H3,(H,10,11)/t5-/m0/s1
InChIKeyFMRUHVUYMGZVLU-YFKPBYRVSA-N
MW195.21 g/mol
LogP0.54
Rot. Bonds6

About (2S)-2-[fluoro(formyl)amino]-4-methylsulfanylbutanoic acid

(2S)-2-[fluoro(formyl)amino]-4-methylsulfanylbutanoic acid (PubChem CID 171476155) has the molecular formula C6H10FNO3S and a molecular weight of 195.21 g/mol. Its IUPAC name is (2S)-2-[fluoro(formyl)amino]-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[fluoro(formyl)amino]-4-methylsulfanylbutanoic acid
PubChem CID171476155
Molecular FormulaC6H10FNO3S
Molecular Weight195.21 g/mol
Exact Mass195.04
IUPAC Name(2S)-2-[fluoro(formyl)amino]-4-methylsulfanylbutanoic acid
SMILESCSCC[C@@H](C(=O)O)N(F)C=O
InChIInChI=1S/C6H10FNO3S/c1-12-3-2-5(6(10)11)8(7)4-9/h4-5H,2-3H2,1H3,(H,10,11)/t5-/m0/s1
InChIKeyFMRUHVUYMGZVLU-YFKPBYRVSA-N
XLogP0.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[fluoro(formyl)amino]-4-methylsulfanylbutanoic acid?
The IUPAC name of (2S)-2-[fluoro(formyl)amino]-4-methylsulfanylbutanoic acid (CID 171476155) is (2S)-2-[fluoro(formyl)amino]-4-methylsulfanylbutanoic acid.
What is the SMILES notation for (2S)-2-[fluoro(formyl)amino]-4-methylsulfanylbutanoic acid?
The canonical SMILES for (2S)-2-[fluoro(formyl)amino]-4-methylsulfanylbutanoic acid is CSCC[C@@H](C(=O)O)N(F)C=O.
What is the InChIKey of (2S)-2-[fluoro(formyl)amino]-4-methylsulfanylbutanoic acid?
The InChIKey is FMRUHVUYMGZVLU-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10FNO3S/c1-12-3-2-5(6(10)11)8(7)4-9/h4-5H,2-3H2,1H3,(H,10,11)/t5-/m0/s1.
What are the key properties of (2S)-2-[fluoro(formyl)amino]-4-methylsulfanylbutanoic acid?
(2S)-2-[fluoro(formyl)amino]-4-methylsulfanylbutanoic acid has a molecular weight of 195.21 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[fluoro(formyl)amino]-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 171476155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).