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

C17H26N2O5S — CID 119369658

IUPAC(2R)-3-methyl-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]butanoic acid
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)N[C@@H](C(=O)O)C(C)C)c(C)c1
InChIInChI=1S/C17H26N2O5S/c1-10(2)15(17(21)22)19-14(20)6-7-18-25(23,24)16-12(4)8-11(3)9-13(16)5/h8-10,15,18H,6-7H2,1-5H3,(H,19,20)(H,21,22)/t15-/m1/s1
InChIKeyVKTKIKIDGULHNT-OAHLLOKOSA-N
MW370.47 g/mol
LogP1.51
Rot. Bonds8

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

(2R)-3-methyl-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]butanoic acid (PubChem CID 119369658) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is (2R)-3-methyl-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]butanoic acid
PubChem CID119369658
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name(2R)-3-methyl-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]butanoic acid
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)N[C@@H](C(=O)O)C(C)C)c(C)c1
InChIInChI=1S/C17H26N2O5S/c1-10(2)15(17(21)22)19-14(20)6-7-18-25(23,24)16-12(4)8-11(3)9-13(16)5/h8-10,15,18H,6-7H2,1-5H3,(H,19,20)(H,21,22)/t15-/m1/s1
InChIKeyVKTKIKIDGULHNT-OAHLLOKOSA-N
XLogP1.51
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-3-methyl-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]butanoic acid with MolForge

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Related Compounds

(2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119370391
N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 35515241
(2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic acid
CID 119368464
3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 107327415
(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
N-(1-amino-2-methylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119522413
(2S)-2-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 119359794
N-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 120569314
N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 51166424
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 55524211

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]butanoic acid (CID 119369658) is (2R)-3-methyl-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]butanoic acid is Cc1cc(C)c(S(=O)(=O)NCCC(=O)N[C@@H](C(=O)O)C(C)C)c(C)c1.
What is the InChIKey of (2R)-3-methyl-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]butanoic acid?
The InChIKey is VKTKIKIDGULHNT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-10(2)15(17(21)22)19-14(20)6-7-18-25(23,24)16-12(4)8-11(3)9-13(16)5/h8-10,15,18H,6-7H2,1-5H3,(H,19,20)(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]butanoic acid?
(2R)-3-methyl-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]butanoic acid has a molecular weight of 370.47 g/mol, XLogP of 1.51, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]butanoic acid is sourced from PubChem (CID 119369658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).