2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)propanoic acid

C10H16F3NO4S — CID 83068250

IUPAC2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)propanoic acid
SMILESCC(NS(=O)(=O)CCCC(F)(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C10H16F3NO4S/c1-9(8(15)16,7-3-4-7)14-19(17,18)6-2-5-10(11,12)13/h7,14H,2-6H2,1H3,(H,15,16)
InChIKeyYUKOSTCAGZQQKE-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.50
Rot. Bonds7

About 2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)propanoic acid

2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)propanoic acid (PubChem CID 83068250) has the molecular formula C10H16F3NO4S and a molecular weight of 303.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)propanoic acid
PubChem CID83068250
Molecular FormulaC10H16F3NO4S
Molecular Weight303.30 g/mol
Exact Mass303.08
IUPAC Name2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)propanoic acid
SMILESCC(NS(=O)(=O)CCCC(F)(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C10H16F3NO4S/c1-9(8(15)16,7-3-4-7)14-19(17,18)6-2-5-10(11,12)13/h7,14H,2-6H2,1H3,(H,15,16)
InChIKeyYUKOSTCAGZQQKE-UHFFFAOYSA-N
XLogP1.50
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclopropyl-2-(difluoromethylsulfonylamino)propanoic acid
CID 43163308
2-Cyclopropyl-2-(trifluoromethylsulfonylamino)propanoic acid
CID 43361630
2-(Difluoromethylsulfonylamino)-2-methylpentanoic acid
CID 43619244
(2S)-4-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
CID 83067802
4-Methyl-4-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
CID 83067879
4-Methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
CID 83068023
2-Cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)acetic acid
CID 83068104
(2S)-3-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
CID 83068327
1-(4,4,4-Trifluorobutylsulfonylamino)cyclobutane-1-carboxylic acid
CID 83068334
2-Methyl-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid
CID 83068405
3-Methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
CID 83068470
2-Ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid
CID 83068548

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)propanoic acid (CID 83068250) is 2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)propanoic acid is CC(NS(=O)(=O)CCCC(F)(F)F)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)propanoic acid?
The InChIKey is YUKOSTCAGZQQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4S/c1-9(8(15)16,7-3-4-7)14-19(17,18)6-2-5-10(11,12)13/h7,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)propanoic acid?
2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)propanoic acid has a molecular weight of 303.30 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)propanoic acid is sourced from PubChem (CID 83068250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).