2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid

C14H21NO5S — CID 79592434

IUPAC2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
SMILESCC(C)OCCS(=O)(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO5S/c1-11(2)20-9-10-21(18,19)15-14(3,13(16)17)12-7-5-4-6-8-12/h4-8,11,15H,9-10H2,1-3H3,(H,16,17)
InChIKeyDIIITCKMCCBRHW-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.33
Rot. Bonds8

About 2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid

2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid (PubChem CID 79592434) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
PubChem CID79592434
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
SMILESCC(C)OCCS(=O)(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO5S/c1-11(2)20-9-10-21(18,19)15-14(3,13(16)17)12-7-5-4-6-8-12/h4-8,11,15H,9-10H2,1-3H3,(H,16,17)
InChIKeyDIIITCKMCCBRHW-UHFFFAOYSA-N
XLogP1.33
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,3-trimethyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79594884
3,3,3-trifluoro-2-methyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79792891
2-phenyl-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]butanoic acid
CID 119201955
3-methyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79594198
4-methyl-4-phenyl-1-propan-2-yloxypentan-3-one
CID 55179591
N-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 79593875
4-(2-propan-2-yloxyethylsulfonylamino)benzoic acid
CID 79149174
2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79594626
N-(1-phenylcyclopropyl)-2-propan-2-yloxyethanesulfonamide
CID 71979577
N-(1-chloro-3-phenylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 79601129
N-(2-cyanopropan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 79594289
2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]-2-methylpropanoic acid
CID 79594364

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid?
The IUPAC name of 2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid (CID 79592434) is 2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid?
The canonical SMILES for 2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid is CC(C)OCCS(=O)(=O)NC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid?
The InChIKey is DIIITCKMCCBRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-11(2)20-9-10-21(18,19)15-14(3,13(16)17)12-7-5-4-6-8-12/h4-8,11,15H,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid?
2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid has a molecular weight of 315.39 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid is sourced from PubChem (CID 79592434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).