[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-2-phenylsulfanylpropanoate

C15H20N2O4S — CID 7806532

IUPAC[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-2-phenylsulfanylpropanoate
SMILESCC(C)[C@@H](OC(=O)[C@@H](C)Sc1ccccc1)C(=O)NC(N)=O
InChIInChI=1S/C15H20N2O4S/c1-9(2)12(13(18)17-15(16)20)21-14(19)10(3)22-11-7-5-4-6-8-11/h4-10,12H,1-3H3,(H3,16,17,18,20)/t10-,12-/m1/s1
InChIKeyOBYSNPDEHXGHCY-ZYHUDNBSSA-N
MW324.40 g/mol
LogP1.93
Rot. Bonds6

About [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-2-phenylsulfanylpropanoate

[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-2-phenylsulfanylpropanoate (PubChem CID 7806532) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-2-phenylsulfanylpropanoate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-2-phenylsulfanylpropanoate
PubChem CID7806532
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-2-phenylsulfanylpropanoate
SMILESCC(C)[C@@H](OC(=O)[C@@H](C)Sc1ccccc1)C(=O)NC(N)=O
InChIInChI=1S/C15H20N2O4S/c1-9(2)12(13(18)17-15(16)20)21-14(19)10(3)22-11-7-5-4-6-8-11/h4-10,12H,1-3H3,(H3,16,17,18,20)/t10-,12-/m1/s1
InChIKeyOBYSNPDEHXGHCY-ZYHUDNBSSA-N
XLogP1.93
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842858
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2S)-2-phenylbutanoate
CID 7811330
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-phenylbenzoate
CID 18080375
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-phenoxyacetate
CID 7980312
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617063
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617065
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-chlorobenzoate
CID 7866412
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-phenylsulfanylpropanoate
CID 8979821
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] (2S)-2-phenylsulfanylpropanoate
CID 7806555
N-(2-aminoethyl)-2-phenylsulfanylpropanamide
CID 119384370
N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide
CID 4003837
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate
CID 7892863

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-2-phenylsulfanylpropanoate?
The IUPAC name of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-2-phenylsulfanylpropanoate (CID 7806532) is [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-2-phenylsulfanylpropanoate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-2-phenylsulfanylpropanoate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-2-phenylsulfanylpropanoate is CC(C)[C@@H](OC(=O)[C@@H](C)Sc1ccccc1)C(=O)NC(N)=O.
What is the InChIKey of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-2-phenylsulfanylpropanoate?
The InChIKey is OBYSNPDEHXGHCY-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-9(2)12(13(18)17-15(16)20)21-14(19)10(3)22-11-7-5-4-6-8-11/h4-10,12H,1-3H3,(H3,16,17,18,20)/t10-,12-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-2-phenylsulfanylpropanoate?
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-2-phenylsulfanylpropanoate has a molecular weight of 324.40 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-2-phenylsulfanylpropanoate is sourced from PubChem (CID 7806532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).