3-(cyclopropylsulfamoylamino)-2-phenylpropanoic acid

C12H16N2O4S — CID 114805986

IUPAC3-(cyclopropylsulfamoylamino)-2-phenylpropanoic acid
SMILESO=C(O)C(CNS(=O)(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C12H16N2O4S/c15-12(16)11(9-4-2-1-3-5-9)8-13-19(17,18)14-10-6-7-10/h1-5,10-11,13-14H,6-8H2,(H,15,16)
InChIKeyRQVNYTIKGISJNF-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.44
Rot. Bonds7

About 3-(cyclopropylsulfamoylamino)-2-phenylpropanoic acid

3-(cyclopropylsulfamoylamino)-2-phenylpropanoic acid (PubChem CID 114805986) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoylamino)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(cyclopropylsulfamoylamino)-2-phenylpropanoic acid
PubChem CID114805986
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name3-(cyclopropylsulfamoylamino)-2-phenylpropanoic acid
SMILESO=C(O)C(CNS(=O)(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C12H16N2O4S/c15-12(16)11(9-4-2-1-3-5-9)8-13-19(17,18)14-10-6-7-10/h1-5,10-11,13-14H,6-8H2,(H,15,16)
InChIKeyRQVNYTIKGISJNF-UHFFFAOYSA-N
XLogP0.44
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-3-(propylsulfamoylamino)propanoic acid
CID 114805983
2-phenyl-3-(sulfamoylamino)propanoic acid
CID 114958853
2-phenyl-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid
CID 62883151
3-(cyclopropylmethylamino)-2-phenylpropanoic acid
CID 64565407
(2R)-2-(cyclopropylsulfamoylamino)-2-phenylethanol
CID 104919310
2-phenyl-3-(thiophen-2-ylsulfonylamino)propanoic acid
CID 62882270
3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylpropanoic acid
CID 75429616
(2S)-2-(cyclopropylsulfamoylamino)-4-phenylbutanoic acid
CID 104983280
3-(methylamino)-2-phenylpropanoic acid;hydrochloride
CID 134828159
3-(3-methoxypropylsulfonylamino)-2-phenylpropanoic acid
CID 63290449
2-[4-(cyclopropylsulfamoyl)phenyl]pentanoic acid
CID 104571979
3-(oxane-4-carbonylamino)-2-phenylpropanoic acid
CID 62883844

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoylamino)-2-phenylpropanoic acid?
The IUPAC name of 3-(cyclopropylsulfamoylamino)-2-phenylpropanoic acid (CID 114805986) is 3-(cyclopropylsulfamoylamino)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(cyclopropylsulfamoylamino)-2-phenylpropanoic acid?
The canonical SMILES for 3-(cyclopropylsulfamoylamino)-2-phenylpropanoic acid is O=C(O)C(CNS(=O)(=O)NC1CC1)c1ccccc1.
What is the InChIKey of 3-(cyclopropylsulfamoylamino)-2-phenylpropanoic acid?
The InChIKey is RQVNYTIKGISJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c15-12(16)11(9-4-2-1-3-5-9)8-13-19(17,18)14-10-6-7-10/h1-5,10-11,13-14H,6-8H2,(H,15,16).
What are the key properties of 3-(cyclopropylsulfamoylamino)-2-phenylpropanoic acid?
3-(cyclopropylsulfamoylamino)-2-phenylpropanoic acid has a molecular weight of 284.34 g/mol, XLogP of 0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoylamino)-2-phenylpropanoic acid is sourced from PubChem (CID 114805986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).