2-(cyclopropylmethyl)-3-[(4-fluorocyclohexyl)methylsulfonylamino]propanoic acid

C14H24FNO4S — CID 167967207

IUPAC2-(cyclopropylmethyl)-3-[(4-fluorocyclohexyl)methylsulfonylamino]propanoic acid
SMILESO=C(O)C(CNS(=O)(=O)CC1CCC(F)CC1)CC1CC1
InChIInChI=1S/C14H24FNO4S/c15-13-5-3-11(4-6-13)9-21(19,20)16-8-12(14(17)18)7-10-1-2-10/h10-13,16H,1-9H2,(H,17,18)
InChIKeyXWAYMCIHLKENCD-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.93
Rot. Bonds8

About 2-(cyclopropylmethyl)-3-[(4-fluorocyclohexyl)methylsulfonylamino]propanoic acid

2-(cyclopropylmethyl)-3-[(4-fluorocyclohexyl)methylsulfonylamino]propanoic acid (PubChem CID 167967207) has the molecular formula C14H24FNO4S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-3-[(4-fluorocyclohexyl)methylsulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-3-[(4-fluorocyclohexyl)methylsulfonylamino]propanoic acid
PubChem CID167967207
Molecular FormulaC14H24FNO4S
Molecular Weight321.41 g/mol
Exact Mass321.14
IUPAC Name2-(cyclopropylmethyl)-3-[(4-fluorocyclohexyl)methylsulfonylamino]propanoic acid
SMILESO=C(O)C(CNS(=O)(=O)CC1CCC(F)CC1)CC1CC1
InChIInChI=1S/C14H24FNO4S/c15-13-5-3-11(4-6-13)9-21(19,20)16-8-12(14(17)18)7-10-1-2-10/h10-13,16H,1-9H2,(H,17,18)
InChIKeyXWAYMCIHLKENCD-UHFFFAOYSA-N
XLogP1.93
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-3-[(4-fluorocyclohexyl)methylsulfonylamino]propanoic acid?
The IUPAC name of 2-(cyclopropylmethyl)-3-[(4-fluorocyclohexyl)methylsulfonylamino]propanoic acid (CID 167967207) is 2-(cyclopropylmethyl)-3-[(4-fluorocyclohexyl)methylsulfonylamino]propanoic acid.
What is the SMILES notation for 2-(cyclopropylmethyl)-3-[(4-fluorocyclohexyl)methylsulfonylamino]propanoic acid?
The canonical SMILES for 2-(cyclopropylmethyl)-3-[(4-fluorocyclohexyl)methylsulfonylamino]propanoic acid is O=C(O)C(CNS(=O)(=O)CC1CCC(F)CC1)CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-3-[(4-fluorocyclohexyl)methylsulfonylamino]propanoic acid?
The InChIKey is XWAYMCIHLKENCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO4S/c15-13-5-3-11(4-6-13)9-21(19,20)16-8-12(14(17)18)7-10-1-2-10/h10-13,16H,1-9H2,(H,17,18).
What are the key properties of 2-(cyclopropylmethyl)-3-[(4-fluorocyclohexyl)methylsulfonylamino]propanoic acid?
2-(cyclopropylmethyl)-3-[(4-fluorocyclohexyl)methylsulfonylamino]propanoic acid has a molecular weight of 321.41 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-3-[(4-fluorocyclohexyl)methylsulfonylamino]propanoic acid is sourced from PubChem (CID 167967207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).