(2S)-2-amino-5-oxo-5-(trifluoromethylsulfonylamino)pentanoic acid

C6H9F3N2O5S — CID 10731266

IUPAC(2S)-2-amino-5-oxo-5-(trifluoromethylsulfonylamino)pentanoic acid
SMILESN[C@@H](CCC(=O)NS(=O)(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C6H9F3N2O5S/c7-6(8,9)17(15,16)11-4(12)2-1-3(10)5(13)14/h3H,1-2,10H2,(H,11,12)(H,13,14)/t3-/m0/s1
InChIKeyZLHQHXZZFNKYID-VKHMYHEASA-N
MW278.21 g/mol
LogP-0.86
Rot. Bonds5

About (2S)-2-amino-5-oxo-5-(trifluoromethylsulfonylamino)pentanoic acid

(2S)-2-amino-5-oxo-5-(trifluoromethylsulfonylamino)pentanoic acid (PubChem CID 10731266) has the molecular formula C6H9F3N2O5S and a molecular weight of 278.21 g/mol. Its IUPAC name is (2S)-2-amino-5-oxo-5-(trifluoromethylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-oxo-5-(trifluoromethylsulfonylamino)pentanoic acid
PubChem CID10731266
Molecular FormulaC6H9F3N2O5S
Molecular Weight278.21 g/mol
Exact Mass278.02
IUPAC Name(2S)-2-amino-5-oxo-5-(trifluoromethylsulfonylamino)pentanoic acid
SMILESN[C@@H](CCC(=O)NS(=O)(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C6H9F3N2O5S/c7-6(8,9)17(15,16)11-4(12)2-1-3(10)5(13)14/h3H,1-2,10H2,(H,11,12)(H,13,14)/t3-/m0/s1
InChIKeyZLHQHXZZFNKYID-VKHMYHEASA-N
XLogP-0.86
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-5-[[(1S)-1-carboxyethyl]amino]-5-oxopentanoic acid;2,2,2-trifluoroacetic acid
CID 166603904
(2S)-2-amino-5-[2-[(2S)-2-amino-2-carboxyethoxy]carbonylhydrazinyl]-5-oxopentanoic acid
CID 57264737
(2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 6993184
2-aminopentanedioic acid;methanesulfonic acid
CID 87765060
(2S)-2-amino-5-formamido-5-oxopentanoic acid
CID 54145415
copper;2-amino-5-(ethylamino)-5-oxopentanoic acid;sulfate
CID 174824189
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
2-amino-5-(ethylamino)-5-oxopentanoic acid;hydrochloride
CID 73408744
2-amino-5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentanoic acid
CID 87176174
5-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)hexanamide
CID 153300358
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-oxo-5-(trifluoromethylsulfonylamino)pentanoic acid?
The IUPAC name of (2S)-2-amino-5-oxo-5-(trifluoromethylsulfonylamino)pentanoic acid (CID 10731266) is (2S)-2-amino-5-oxo-5-(trifluoromethylsulfonylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-oxo-5-(trifluoromethylsulfonylamino)pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-oxo-5-(trifluoromethylsulfonylamino)pentanoic acid is N[C@@H](CCC(=O)NS(=O)(=O)C(F)(F)F)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-oxo-5-(trifluoromethylsulfonylamino)pentanoic acid?
The InChIKey is ZLHQHXZZFNKYID-VKHMYHEASA-N. The full InChI is InChI=1S/C6H9F3N2O5S/c7-6(8,9)17(15,16)11-4(12)2-1-3(10)5(13)14/h3H,1-2,10H2,(H,11,12)(H,13,14)/t3-/m0/s1.
What are the key properties of (2S)-2-amino-5-oxo-5-(trifluoromethylsulfonylamino)pentanoic acid?
(2S)-2-amino-5-oxo-5-(trifluoromethylsulfonylamino)pentanoic acid has a molecular weight of 278.21 g/mol, XLogP of -0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-oxo-5-(trifluoromethylsulfonylamino)pentanoic acid is sourced from PubChem (CID 10731266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).