3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid

C12H18N2O4S — CID 85300232

IUPAC3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid
SMILESCC(C)NS(=O)(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-9(2)13-19(17,18)14-11(12(15)16)8-10-6-4-3-5-7-10/h3-7,9,11,13-14H,8H2,1-2H3,(H,15,16)
InChIKeyNPWXLKYOUSXVER-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.51
Rot. Bonds7

About 3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid

3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid (PubChem CID 85300232) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid
PubChem CID85300232
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid
SMILESCC(C)NS(=O)(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-9(2)13-19(17,18)14-11(12(15)16)8-10-6-4-3-5-7-10/h3-7,9,11,13-14H,8H2,1-2H3,(H,15,16)
InChIKeyNPWXLKYOUSXVER-UHFFFAOYSA-N
XLogP0.51
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-phenyl-2-(propan-2-ylsulfamoylamino)butanoic acid
CID 104983267
2-(tert-butylsulfamoylamino)-3-phenylpropanoic acid
CID 114805224
2-(1-hydroxyethylsulfonylamino)-3-phenylpropanoic acid
CID 176961767
(2S)-2-(methoxycarbonylsulfamoylamino)-3-phenylpropanoic acid
CID 104929105
1-[(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 67652168
(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol
CID 102675491
2-(methylsulfonylmethylsulfonylamino)-3-phenylpropanoic acid
CID 82840375
2-(2-methoxyethylsulfonylamino)-3-phenylpropanoic acid
CID 55009884
(2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977908
(2R)-2-amino-3-phenylpropanoic acid;(2R)-2-(methanesulfonamido)-3-phenylpropanoic acid
CID 22867971
(2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid
CID 122069411
(2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-phenylpropanoic acid
CID 61359341

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid?
The IUPAC name of 3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid (CID 85300232) is 3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid.
What is the SMILES notation for 3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid?
The canonical SMILES for 3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid is CC(C)NS(=O)(=O)NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid?
The InChIKey is NPWXLKYOUSXVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9(2)13-19(17,18)14-11(12(15)16)8-10-6-4-3-5-7-10/h3-7,9,11,13-14H,8H2,1-2H3,(H,15,16).
What are the key properties of 3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid?
3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid has a molecular weight of 286.35 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid is sourced from PubChem (CID 85300232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).