3-[2-(cyclohexylamino)-2-oxoethyl]sulfinylpropanoic acid

C11H19NO4S — CID 55025301

IUPAC3-[2-(cyclohexylamino)-2-oxoethyl]sulfinylpropanoic acid
SMILESO=C(O)CCS(=O)CC(=O)NC1CCCCC1
InChIInChI=1S/C11H19NO4S/c13-10(8-17(16)7-6-11(14)15)12-9-4-2-1-3-5-9/h9H,1-8H2,(H,12,13)(H,14,15)
InChIKeyAMMOAXAAFJSVPS-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.66
Rot. Bonds6

About 3-[2-(cyclohexylamino)-2-oxoethyl]sulfinylpropanoic acid

3-[2-(cyclohexylamino)-2-oxoethyl]sulfinylpropanoic acid (PubChem CID 55025301) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 3-[2-(cyclohexylamino)-2-oxoethyl]sulfinylpropanoic acid.

Molecular Properties

Compound Name3-[2-(cyclohexylamino)-2-oxoethyl]sulfinylpropanoic acid
PubChem CID55025301
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name3-[2-(cyclohexylamino)-2-oxoethyl]sulfinylpropanoic acid
SMILESO=C(O)CCS(=O)CC(=O)NC1CCCCC1
InChIInChI=1S/C11H19NO4S/c13-10(8-17(16)7-6-11(14)15)12-9-4-2-1-3-5-9/h9H,1-8H2,(H,12,13)(H,14,15)
InChIKeyAMMOAXAAFJSVPS-UHFFFAOYSA-N
XLogP0.66
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888
3-[2-(cycloheptylamino)-2-oxoethyl]sulfinylbutanoic acid
CID 66115734
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid
CID 43447271
3-[4-[2-(cyclohexylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 43522437
3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]propanoic acid
CID 50968880
3-[2-(cycloheptylamino)-2-oxoethyl]sulfonylpropanoic acid
CID 62575643
3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid
CID 82327406
3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid
CID 61181431
2-(3-aminobutylsulfinyl)-N-cyclopropylacetamide
CID 81194624
N-cyclohexyl-2-(oxan-4-ylsulfinyl)acetamide
CID 127659906

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylamino)-2-oxoethyl]sulfinylpropanoic acid?
The IUPAC name of 3-[2-(cyclohexylamino)-2-oxoethyl]sulfinylpropanoic acid (CID 55025301) is 3-[2-(cyclohexylamino)-2-oxoethyl]sulfinylpropanoic acid.
What is the SMILES notation for 3-[2-(cyclohexylamino)-2-oxoethyl]sulfinylpropanoic acid?
The canonical SMILES for 3-[2-(cyclohexylamino)-2-oxoethyl]sulfinylpropanoic acid is O=C(O)CCS(=O)CC(=O)NC1CCCCC1.
What is the InChIKey of 3-[2-(cyclohexylamino)-2-oxoethyl]sulfinylpropanoic acid?
The InChIKey is AMMOAXAAFJSVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c13-10(8-17(16)7-6-11(14)15)12-9-4-2-1-3-5-9/h9H,1-8H2,(H,12,13)(H,14,15).
What are the key properties of 3-[2-(cyclohexylamino)-2-oxoethyl]sulfinylpropanoic acid?
3-[2-(cyclohexylamino)-2-oxoethyl]sulfinylpropanoic acid has a molecular weight of 261.34 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylamino)-2-oxoethyl]sulfinylpropanoic acid is sourced from PubChem (CID 55025301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).