3-[ethyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid

C17H26N2O5S — CID 120516640

IUPAC3-[ethyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H26N2O5S/c1-5-19(9-7-16(21)22)15(20)6-8-18-25(23,24)17-13(3)10-12(2)11-14(17)4/h10-11,18H,5-9H2,1-4H3,(H,21,22)
InChIKeyMZXFEYVAMUMKLZ-UHFFFAOYSA-N
MW370.47 g/mol
LogP1.60
Rot. Bonds9

About 3-[ethyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid

3-[ethyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid (PubChem CID 120516640) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is 3-[ethyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid
PubChem CID120516640
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name3-[ethyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H26N2O5S/c1-5-19(9-7-16(21)22)15(20)6-8-18-25(23,24)17-13(3)10-12(2)11-14(17)4/h10-11,18H,5-9H2,1-4H3,(H,21,22)
InChIKeyMZXFEYVAMUMKLZ-UHFFFAOYSA-N
XLogP1.60
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[methyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid
CID 120518710
3-[ethyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 61007151
N-propyl-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113051922
3-[(2,5-dimethylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 30482009
3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 61125157
3-(N-ethyl-2,4,6-trimethylanilino)propanoic acid
CID 82318767
N-benzyl-N-cyclopropyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 38253005
2,4,6-trimethyl-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064916
N-propyl-N-pyrrolidin-3-yl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119530760
(2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119370391
3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoic acid
CID 61183576
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 31152189

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid (CID 120516640) is 3-[ethyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 3-[ethyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid?
The InChIKey is MZXFEYVAMUMKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-5-19(9-7-16(21)22)15(20)6-8-18-25(23,24)17-13(3)10-12(2)11-14(17)4/h10-11,18H,5-9H2,1-4H3,(H,21,22).
What are the key properties of 3-[ethyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid?
3-[ethyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid has a molecular weight of 370.47 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid is sourced from PubChem (CID 120516640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).