2-phenyl-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]butanoic acid

C17H26N2O6S — CID 119201955

IUPAC2-phenyl-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)CNS(=O)(=O)CCOC(C)C)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H26N2O6S/c1-4-17(16(21)22,14-8-6-5-7-9-14)19-15(20)12-18-26(23,24)11-10-25-13(2)3/h5-9,13,18H,4,10-12H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyXXJJUOXUUSPOQR-UHFFFAOYSA-N
MW386.47 g/mol
LogP0.84
Rot. Bonds11

About 2-phenyl-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]butanoic acid

2-phenyl-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]butanoic acid (PubChem CID 119201955) has the molecular formula C17H26N2O6S and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-phenyl-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-phenyl-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]butanoic acid
PubChem CID119201955
Molecular FormulaC17H26N2O6S
Molecular Weight386.47 g/mol
Exact Mass386.15
IUPAC Name2-phenyl-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)CNS(=O)(=O)CCOC(C)C)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H26N2O6S/c1-4-17(16(21)22,14-8-6-5-7-9-14)19-15(20)12-18-26(23,24)11-10-25-13(2)3/h5-9,13,18H,4,10-12H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyXXJJUOXUUSPOQR-UHFFFAOYSA-N
XLogP0.84
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
CID 119527626
2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79592434
4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]benzoic acid
CID 119177738
N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride
CID 119527625
(2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid
CID 119238322
2-(4-ethoxybutanoylamino)-2-phenylbutanoic acid
CID 119201999
2-[3-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid
CID 119352057
ethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate
CID 116694178
2-[[5-(dimethylamino)-5-oxopentanoyl]amino]-2-phenylbutanoic acid
CID 119202071
2-methyl-2-[4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]pyrazol-1-yl]propanoic acid
CID 120696279
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
CID 119572623
2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79594626

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]butanoic acid?
The IUPAC name of 2-phenyl-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]butanoic acid (CID 119201955) is 2-phenyl-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-phenyl-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]butanoic acid?
The canonical SMILES for 2-phenyl-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]butanoic acid is CCC(NC(=O)CNS(=O)(=O)CCOC(C)C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]butanoic acid?
The InChIKey is XXJJUOXUUSPOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6S/c1-4-17(16(21)22,14-8-6-5-7-9-14)19-15(20)12-18-26(23,24)11-10-25-13(2)3/h5-9,13,18H,4,10-12H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-phenyl-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]butanoic acid?
2-phenyl-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]butanoic acid has a molecular weight of 386.47 g/mol, XLogP of 0.84, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]butanoic acid is sourced from PubChem (CID 119201955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).