[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-fluorophenyl)sulfanylacetate

C14H17FN2O4S — CID 7355210

IUPAC[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
SMILESCC(C)[C@H](OC(=O)CSc1ccccc1F)C(=O)NC(N)=O
InChIInChI=1S/C14H17FN2O4S/c1-8(2)12(13(19)17-14(16)20)21-11(18)7-22-10-6-4-3-5-9(10)15/h3-6,8,12H,7H2,1-2H3,(H3,16,17,19,20)/t12-/m0/s1
InChIKeyOYWQJBLZWQIPPA-LBPRGKRZSA-N
MW328.37 g/mol
LogP1.68
Rot. Bonds6

About [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-fluorophenyl)sulfanylacetate

[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-fluorophenyl)sulfanylacetate (PubChem CID 7355210) has the molecular formula C14H17FN2O4S and a molecular weight of 328.37 g/mol. Its IUPAC name is [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
PubChem CID7355210
Molecular FormulaC14H17FN2O4S
Molecular Weight328.37 g/mol
Exact Mass328.09
IUPAC Name[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
SMILESCC(C)[C@H](OC(=O)CSc1ccccc1F)C(=O)NC(N)=O
InChIInChI=1S/C14H17FN2O4S/c1-8(2)12(13(19)17-14(16)20)21-11(18)7-22-10-6-4-3-5-9(10)15/h3-6,8,12H,7H2,1-2H3,(H3,16,17,19,20)/t12-/m0/s1
InChIKeyOYWQJBLZWQIPPA-LBPRGKRZSA-N
XLogP1.68
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-fluorophenyl)sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-fluorophenyl)sulfanylacetate?
The IUPAC name of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-fluorophenyl)sulfanylacetate (CID 7355210) is [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-fluorophenyl)sulfanylacetate.
What is the SMILES notation for [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-fluorophenyl)sulfanylacetate?
The canonical SMILES for [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-fluorophenyl)sulfanylacetate is CC(C)[C@H](OC(=O)CSc1ccccc1F)C(=O)NC(N)=O.
What is the InChIKey of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-fluorophenyl)sulfanylacetate?
The InChIKey is OYWQJBLZWQIPPA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17FN2O4S/c1-8(2)12(13(19)17-14(16)20)21-11(18)7-22-10-6-4-3-5-9(10)15/h3-6,8,12H,7H2,1-2H3,(H3,16,17,19,20)/t12-/m0/s1.
What are the key properties of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-fluorophenyl)sulfanylacetate?
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-fluorophenyl)sulfanylacetate has a molecular weight of 328.37 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 7355210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).