2-(8-tricyclo[5.2.1.02,6]decanylsulfamoyl)propanoic acid

C13H21NO4S — CID 61455278

IUPAC2-(8-tricyclo[5.2.1.02,6]decanylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NC1CC2CC1C1CCCC21
InChIInChI=1S/C13H21NO4S/c1-7(13(15)16)19(17,18)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h7-12,14H,2-6H2,1H3,(H,15,16)
InChIKeyXNPSZIXOCAUIOH-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.20
Rot. Bonds4

About 2-(8-tricyclo[5.2.1.02,6]decanylsulfamoyl)propanoic acid

2-(8-tricyclo[5.2.1.02,6]decanylsulfamoyl)propanoic acid (PubChem CID 61455278) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(8-tricyclo[5.2.1.02,6]decanylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(8-tricyclo[5.2.1.02,6]decanylsulfamoyl)propanoic acid
PubChem CID61455278
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name2-(8-tricyclo[5.2.1.02,6]decanylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NC1CC2CC1C1CCCC21
InChIInChI=1S/C13H21NO4S/c1-7(13(15)16)19(17,18)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h7-12,14H,2-6H2,1H3,(H,15,16)
InChIKeyXNPSZIXOCAUIOH-UHFFFAOYSA-N
XLogP1.20
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminocyclopentyl)sulfamoyl]propanoic acid
CID 63252218
2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
CID 43700055
2-methyl-N'-(8-tricyclo[5.2.1.02,6]decanyl)propanehydrazide
CID 58683007
2-(8-tricyclo[5.2.1.02,6]decanylamino)propanamide
CID 43402411
2-phenyl-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetic acid
CID 62110993
3-(2-methylpropylsulfonyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide
CID 124729850
3-(2-methylpropylsulfonyl)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide
CID 124729848
2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)ethanesulfonamide
CID 107651448
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylsulfamoyl)propanoic acid
CID 54947383
3-(ethylamino)-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide
CID 62839360
N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentanecarboxamide
CID 124785473
cis-(1S,2R)-2-(8-tricyclo[5.2.1.02,6]decanylcarbamoyl)cyclopropane-1-carboxylic acid
CID 114091906

Frequently Asked Questions

What is the IUPAC name of 2-(8-tricyclo[5.2.1.02,6]decanylsulfamoyl)propanoic acid?
The IUPAC name of 2-(8-tricyclo[5.2.1.02,6]decanylsulfamoyl)propanoic acid (CID 61455278) is 2-(8-tricyclo[5.2.1.02,6]decanylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-(8-tricyclo[5.2.1.02,6]decanylsulfamoyl)propanoic acid?
The canonical SMILES for 2-(8-tricyclo[5.2.1.02,6]decanylsulfamoyl)propanoic acid is CC(C(=O)O)S(=O)(=O)NC1CC2CC1C1CCCC21.
What is the InChIKey of 2-(8-tricyclo[5.2.1.02,6]decanylsulfamoyl)propanoic acid?
The InChIKey is XNPSZIXOCAUIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-7(13(15)16)19(17,18)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h7-12,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-(8-tricyclo[5.2.1.02,6]decanylsulfamoyl)propanoic acid?
2-(8-tricyclo[5.2.1.02,6]decanylsulfamoyl)propanoic acid has a molecular weight of 287.38 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-tricyclo[5.2.1.02,6]decanylsulfamoyl)propanoic acid is sourced from PubChem (CID 61455278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).