(2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid

C12H17NO4S — CID 104897086

IUPAC(2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid
SMILESCC(C)(C)S(=O)(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C12H17NO4S/c1-12(2,3)18(16,17)13-10(11(14)15)9-7-5-4-6-8-9/h4-8,10,13H,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyLGMPUWIMGLTWPP-JTQLQIEISA-N
MW271.34 g/mol
LogP1.53
Rot. Bonds4

About (2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid

(2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid (PubChem CID 104897086) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is (2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid
PubChem CID104897086
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name(2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid
SMILESCC(C)(C)S(=O)(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C12H17NO4S/c1-12(2,3)18(16,17)13-10(11(14)15)9-7-5-4-6-8-9/h4-8,10,13H,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyLGMPUWIMGLTWPP-JTQLQIEISA-N
XLogP1.53
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
(2S)-2-(ethylsulfamoylamino)-2-phenylacetic acid
CID 103862444
(2S)-2-(2-methylsulfonylethylsulfonylamino)-2-phenylacetic acid
CID 103862434
(2R)-2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid
CID 28881338
2-[(2-bromophenyl)sulfonylamino]-2-phenylacetic acid
CID 43089617
(2S,3R)-2-(tert-butylsulfonylamino)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide
CID 101053354
(2S)-2-(benzylsulfonylamino)-2-phenylacetic acid
CID 103862430
2-(4-tert-butylanilino)-2-phenylacetic acid
CID 103232176
methyl 2-(tert-butylsulfonylamino)-2-(3-chlorophenyl)acetate
CID 71541213
2-(butylsulfonylamino)-2-phenylacetic acid
CID 16775375
(2R)-2-(2-methylprop-2-enylsulfonylamino)-2-phenylacetic acid
CID 122069455
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-2-phenylacetic acid
CID 103862421

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid?
The IUPAC name of (2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid (CID 104897086) is (2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid?
The canonical SMILES for (2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid is CC(C)(C)S(=O)(=O)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid?
The InChIKey is LGMPUWIMGLTWPP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO4S/c1-12(2,3)18(16,17)13-10(11(14)15)9-7-5-4-6-8-9/h4-8,10,13H,1-3H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid?
(2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid has a molecular weight of 271.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid is sourced from PubChem (CID 104897086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).