(2S)-2-amino-5,5,5-trifluoropentanoate

C5H7F3NO2- — CID 152782221

IUPAC(2S)-2-amino-5,5,5-trifluoropentanoate
SMILESN[C@@H](CCC(F)(F)F)C(=O)[O-]
InChIInChI=1S/C5H8F3NO2/c6-5(7,8)2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)/p-1/t3-/m0/s1
InChIKeyKTZZIDWVKLDWBF-VKHMYHEASA-M
MW170.11 g/mol
LogP-0.59
Rot. Bonds3

About (2S)-2-amino-5,5,5-trifluoropentanoate

(2S)-2-amino-5,5,5-trifluoropentanoate (PubChem CID 152782221) has the molecular formula C5H7F3NO2- and a molecular weight of 170.11 g/mol. Its IUPAC name is (2S)-2-amino-5,5,5-trifluoropentanoate.

Molecular Properties

Compound Name(2S)-2-amino-5,5,5-trifluoropentanoate
PubChem CID152782221
Molecular FormulaC5H7F3NO2-
Molecular Weight170.11 g/mol
Exact Mass170.04
IUPAC Name(2S)-2-amino-5,5,5-trifluoropentanoate
SMILESN[C@@H](CCC(F)(F)F)C(=O)[O-]
InChIInChI=1S/C5H8F3NO2/c6-5(7,8)2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)/p-1/t3-/m0/s1
InChIKeyKTZZIDWVKLDWBF-VKHMYHEASA-M
XLogP-0.59
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.11
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

calcium;bis((2S)-2-aminopentanedioate);hydride
CID 139033629
ethyl (2R)-2-amino-5,5,5-trifluoropentanoate
CID 95378431
ethyl (2S)-2-amino-5,5,5-trifluoropentanoate;hydrochloride
CID 154727174
calcium (2S)-2-aminohexanedioate
CID 141363631
calcium;bis((2S)-2-aminopentanedioate);hydron;tetrahydrate
CID 91826886
(2S)-2-aminopentanedioate;cadmium(2+)
CID 159859619
diazanium;2-aminopentanedioate
CID 22497325
copper (2S)-2-aminopentanedioate
CID 87093217
(2S)-2-aminopentanedioate;nickel(2+)
CID 87532151
tris((2S)-2-aminopentanedioate);bis(cerium(3+))
CID 160944724
(2S)-2-aminopentanedioate;manganese(2+)
CID 10442757
calcium bis(2-amino-4-methoxybutanoate)
CID 23618824

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5,5,5-trifluoropentanoate?
The IUPAC name of (2S)-2-amino-5,5,5-trifluoropentanoate (CID 152782221) is (2S)-2-amino-5,5,5-trifluoropentanoate.
What is the SMILES notation for (2S)-2-amino-5,5,5-trifluoropentanoate?
The canonical SMILES for (2S)-2-amino-5,5,5-trifluoropentanoate is N[C@@H](CCC(F)(F)F)C(=O)[O-].
What is the InChIKey of (2S)-2-amino-5,5,5-trifluoropentanoate?
The InChIKey is KTZZIDWVKLDWBF-VKHMYHEASA-M. The full InChI is InChI=1S/C5H8F3NO2/c6-5(7,8)2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)/p-1/t3-/m0/s1.
What are the key properties of (2S)-2-amino-5,5,5-trifluoropentanoate?
(2S)-2-amino-5,5,5-trifluoropentanoate has a molecular weight of 170.11 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5,5,5-trifluoropentanoate is sourced from PubChem (CID 152782221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).