(2-amino-2-oxoethyl) (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate

C15H22N2O5S — CID 2084310

IUPAC(2-amino-2-oxoethyl) (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
SMILESCc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)C(=O)OCC(N)=O)c1C
InChIInChI=1S/C15H22N2O5S/c1-8-6-9(2)11(4)14(10(8)3)23(20,21)17-12(5)15(19)22-7-13(16)18/h6,12,17H,7H2,1-5H3,(H2,16,18)/t12-/m1/s1
InChIKeyCMSKEOOMTFEXQX-GFCCVEGCSA-N
MW342.42 g/mol
LogP0.62
Rot. Bonds6

About (2-amino-2-oxoethyl) (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate

(2-amino-2-oxoethyl) (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate (PubChem CID 2084310) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
PubChem CID2084310
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name(2-amino-2-oxoethyl) (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
SMILESCc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)C(=O)OCC(N)=O)c1C
InChIInChI=1S/C15H22N2O5S/c1-8-6-9(2)11(4)14(10(8)3)23(20,21)17-12(5)15(19)22-7-13(16)18/h6,12,17H,7H2,1-5H3,(H2,16,18)/t12-/m1/s1
InChIKeyCMSKEOOMTFEXQX-GFCCVEGCSA-N
XLogP0.62
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate?
The IUPAC name of (2-amino-2-oxoethyl) (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate (CID 2084310) is (2-amino-2-oxoethyl) (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for (2-amino-2-oxoethyl) (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate?
The canonical SMILES for (2-amino-2-oxoethyl) (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate is Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)C(=O)OCC(N)=O)c1C.
What is the InChIKey of (2-amino-2-oxoethyl) (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate?
The InChIKey is CMSKEOOMTFEXQX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-8-6-9(2)11(4)14(10(8)3)23(20,21)17-12(5)15(19)22-7-13(16)18/h6,12,17H,7H2,1-5H3,(H2,16,18)/t12-/m1/s1.
What are the key properties of (2-amino-2-oxoethyl) (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate?
(2-amino-2-oxoethyl) (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate has a molecular weight of 342.42 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 2084310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).