(S)-(+)-2-trifluoroacetylaminobutyric acid

HCID 79006992
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Basic information

Standard SMILES
CC[C@H](NC(=O)C(F)(F)F)C(=O)O
InChIKey
PEHBBHOVUUQKHN-VKHMYHEASA-N
Molecular formula
C6H8F3NO3
Average molar mass
199.13 g/mol
Monoisotopic mass
199.0456276

Names & identifiers

Preferred name
(S)-(+)-2-trifluoroacetylaminobutyric acid
IUPAC
(2S)-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid

Names & synonyms

(2S)-2-(trifluoroacetamido)butanoic acid(S)-(+)-2-trifluoroacetylaminobutyric acid677277-70-2SCHEMBL1899689AKOS017532110EN300-42801112-(S)-(2,2,2-trifluoroacetylamino)-butyric acid

Database identifiers

PubChem CID
79006992
Nikkaji
J57.388D

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
66.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
13

Related reactions

2 records
New reaction record

Compound notes

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