3-(cyclopropylsulfonylamino)-3-phenylpropanoic acid

C12H15NO4S — CID 64552602

IUPAC3-(cyclopropylsulfonylamino)-3-phenylpropanoic acid
SMILESO=C(O)CC(NS(=O)(=O)C1CC1)c1ccccc1
InChIInChI=1S/C12H15NO4S/c14-12(15)8-11(9-4-2-1-3-5-9)13-18(16,17)10-6-7-10/h1-5,10-11,13H,6-8H2,(H,14,15)
InChIKeyAFTULECQSANIMJ-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.28
Rot. Bonds6

About 3-(cyclopropylsulfonylamino)-3-phenylpropanoic acid

3-(cyclopropylsulfonylamino)-3-phenylpropanoic acid (PubChem CID 64552602) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-(cyclopropylsulfonylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(cyclopropylsulfonylamino)-3-phenylpropanoic acid
PubChem CID64552602
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name3-(cyclopropylsulfonylamino)-3-phenylpropanoic acid
SMILESO=C(O)CC(NS(=O)(=O)C1CC1)c1ccccc1
InChIInChI=1S/C12H15NO4S/c14-12(15)8-11(9-4-2-1-3-5-9)13-18(16,17)10-6-7-10/h1-5,10-11,13H,6-8H2,(H,14,15)
InChIKeyAFTULECQSANIMJ-UHFFFAOYSA-N
XLogP1.28
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(3-bromophenyl)-3-(cyclopropylsulfonylamino)propanoic acid
CID 146134249
N-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide
CID 103825699
4-(cyclopentylsulfonylamino)-4-phenylbutanoic acid
CID 105360745
3-phenyl-3-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid
CID 166331895
3-[(2-cyclopropylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 166273738
3-(methylsulfonylmethylsulfonylamino)-3-phenylpropanoic acid
CID 82839464
N-(2-bromo-1-phenylethyl)-1,1-dioxothiane-4-sulfonamide
CID 114296825
bis[(2S)-2-(cyclohexylsulfonylamino)-2-phenylethyl] (E)-but-2-enedioate
CID 126496956
3-(tert-butylsulfamoylamino)-3-phenylpropanoic acid
CID 114805164
3-(cyclohexylamino)-3-phenylpropanoic acid
CID 82931876
(3R)-3-[(2-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 726567
N-[(1S)-2-hydroxy-1-phenylethyl]-1,1-dioxothiolane-3-sulfonamide
CID 107863557

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfonylamino)-3-phenylpropanoic acid?
The IUPAC name of 3-(cyclopropylsulfonylamino)-3-phenylpropanoic acid (CID 64552602) is 3-(cyclopropylsulfonylamino)-3-phenylpropanoic acid.
What is the SMILES notation for 3-(cyclopropylsulfonylamino)-3-phenylpropanoic acid?
The canonical SMILES for 3-(cyclopropylsulfonylamino)-3-phenylpropanoic acid is O=C(O)CC(NS(=O)(=O)C1CC1)c1ccccc1.
What is the InChIKey of 3-(cyclopropylsulfonylamino)-3-phenylpropanoic acid?
The InChIKey is AFTULECQSANIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c14-12(15)8-11(9-4-2-1-3-5-9)13-18(16,17)10-6-7-10/h1-5,10-11,13H,6-8H2,(H,14,15).
What are the key properties of 3-(cyclopropylsulfonylamino)-3-phenylpropanoic acid?
3-(cyclopropylsulfonylamino)-3-phenylpropanoic acid has a molecular weight of 269.32 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfonylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 64552602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).