[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate

C16H24N2O5S — CID 2447727

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
SMILESCc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C(N)=O)c1C
InChIInChI=1S/C16H24N2O5S/c1-8-7-9(2)11(4)14(10(8)3)24(21,22)18-12(5)16(20)23-13(6)15(17)19/h7,12-13,18H,1-6H3,(H2,17,19)/t12-,13+/m0/s1
InChIKeyQYNIXCYBGGJVRF-QWHCGFSZSA-N
MW356.44 g/mol
LogP1.00
Rot. Bonds6

About [(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate

[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate (PubChem CID 2447727) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
PubChem CID2447727
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
SMILESCc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C(N)=O)c1C
InChIInChI=1S/C16H24N2O5S/c1-8-7-9(2)11(4)14(10(8)3)24(21,22)18-12(5)16(20)23-13(6)15(17)19/h7,12-13,18H,1-6H3,(H2,17,19)/t12-,13+/m0/s1
InChIKeyQYNIXCYBGGJVRF-QWHCGFSZSA-N
XLogP1.00
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate (CID 2447727) is [(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate is Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C(N)=O)c1C.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate?
The InChIKey is QYNIXCYBGGJVRF-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-8-7-9(2)11(4)14(10(8)3)24(21,22)18-12(5)16(20)23-13(6)15(17)19/h7,12-13,18H,1-6H3,(H2,17,19)/t12-,13+/m0/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate?
[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate has a molecular weight of 356.44 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 2447727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).