4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid

C7H13F3N2O4S — CID 114806230

IUPAC4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid
SMILESCC(CCC(=O)O)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O4S/c1-5(2-3-6(13)14)12-17(15,16)11-4-7(8,9)10/h5,11-12H,2-4H2,1H3,(H,13,14)
InChIKeyHIINXNDORJQJSD-UHFFFAOYSA-N
MW278.25 g/mol
LogP0.23
Rot. Bonds7

About 4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid

4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid (PubChem CID 114806230) has the molecular formula C7H13F3N2O4S and a molecular weight of 278.25 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid
PubChem CID114806230
Molecular FormulaC7H13F3N2O4S
Molecular Weight278.25 g/mol
Exact Mass278.05
IUPAC Name4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid
SMILESCC(CCC(=O)O)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O4S/c1-5(2-3-6(13)14)12-17(15,16)11-4-7(8,9)10/h5,11-12H,2-4H2,1H3,(H,13,14)
InChIKeyHIINXNDORJQJSD-UHFFFAOYSA-N
XLogP0.23
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-5,5-difluoropentanoic acid
CID 13050369
4-Amino-5,5,5-trifluoropentanoic acid
CID 20543342
(S)-4-Amino-5,5,5-trifluoropentanoic acid
CID 29919120
(2S)-2-amino-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 89123541
2-Amino-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 89123542
(R)-4-Amino-5,5,5-trifluoropentanoic acid
CID 29919122
2-(Trifluoromethylsulfonylamino)pentanoic acid
CID 43631272
(S)-4-Amino-5,5-difluoropentanoic acid
CID 51901751
(4R)-4-amino-5,5-difluoropentanoic acid
CID 51901753
4-(Trifluoromethylsulfonylamino)pentanoic acid
CID 64096942
4-(Difluoromethylsulfonylamino)pentanoic acid
CID 64097344
(2R)-2-(trifluoromethylsulfonylamino)pentanoic acid
CID 107564829

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid?
The IUPAC name of 4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid (CID 114806230) is 4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid.
What is the SMILES notation for 4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid?
The canonical SMILES for 4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid is CC(CCC(=O)O)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid?
The InChIKey is HIINXNDORJQJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O4S/c1-5(2-3-6(13)14)12-17(15,16)11-4-7(8,9)10/h5,11-12H,2-4H2,1H3,(H,13,14).
What are the key properties of 4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid?
4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid has a molecular weight of 278.25 g/mol, XLogP of 0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid is sourced from PubChem (CID 114806230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).