(2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid

C15H22N2O5S — CID 119370391

IUPAC(2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)N[C@H](C)C(=O)O)c(C)c1
InChIInChI=1S/C15H22N2O5S/c1-9-7-10(2)14(11(3)8-9)23(21,22)16-6-5-13(18)17-12(4)15(19)20/h7-8,12,16H,5-6H2,1-4H3,(H,17,18)(H,19,20)/t12-/m1/s1
InChIKeyYHYOPGJAENSDEP-GFCCVEGCSA-N
MW342.42 g/mol
LogP0.87
Rot. Bonds7

About (2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid

(2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid (PubChem CID 119370391) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is (2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid
PubChem CID119370391
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name(2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)N[C@H](C)C(=O)O)c(C)c1
InChIInChI=1S/C15H22N2O5S/c1-9-7-10(2)14(11(3)8-9)23(21,22)16-6-5-13(18)17-12(4)15(19)20/h7-8,12,16H,5-6H2,1-4H3,(H,17,18)(H,19,20)/t12-/m1/s1
InChIKeyYHYOPGJAENSDEP-GFCCVEGCSA-N
XLogP0.87
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-methyl-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119369658
N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 35515241
3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 107327415
(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 22801291
(2S)-2-hydroxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]butanoic acid
CID 104933998
N-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26577512
2-[2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]ethylsulfanyl]acetic acid
CID 120526468
(2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid
CID 119238107
N-(1-amino-2-methylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119522413
(2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid
CID 119943288
N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 51166424
N-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 120569314

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid?
The IUPAC name of (2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid (CID 119370391) is (2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid is Cc1cc(C)c(S(=O)(=O)NCCC(=O)N[C@H](C)C(=O)O)c(C)c1.
What is the InChIKey of (2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid?
The InChIKey is YHYOPGJAENSDEP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-9-7-10(2)14(11(3)8-9)23(21,22)16-6-5-13(18)17-12(4)15(19)20/h7-8,12,16H,5-6H2,1-4H3,(H,17,18)(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid?
(2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid has a molecular weight of 342.42 g/mol, XLogP of 0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid is sourced from PubChem (CID 119370391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).