2-[(2,2,2-Trifluoroacetyl)amino]propanoic acid
Basic information
- CAS
1597-49-5- Standard SMILES
CC(NC(=O)C(F)(F)F)C(=O)O- InChIKey
WLVJROFMCNWTBX-REOHCLBHSA-N- Molecular formula
- C5H6F3NO3
- Average molar mass
- 185.1 g/mol
- Monoisotopic mass
- 185.02997754
Names & identifiers
- Preferred name
- 2-[(2,2,2-Trifluoroacetyl)amino]propanoic acid
- IUPAC
- 2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
- English name
- L-Alanine,N-(2,2,2-trifluoroacetyl)-
- Molecular formula
- C5H6F3NO3
- Molecular weight
- 185.1012496
Names & synonyms
1597-49-52-[(2,2,2-trifluoroacetyl)amino]propanoic acid2-(trifluoroacetamido)propanoic acidNSC1570292-(2,2,2-TRIFLUOROACETAMIDO)PROPANOIC ACIDSCHEMBL1681789NSC47008NSC-47008NSC-157029SY398486EN300-223977G25400
Show more names
TFA-Ala-OHN-(Trifluoro acetyl)-L-AlanineL-Alanine,N-(2,2,2-trifluoroacetyl)-(S)-2-(2,2,2-Trifluoroacetamido)propanoic acid
10.14272/WLVJROFMCNWTBX-UHFFFAOYSA-N.1doi:10.14272/WLVJROFMCNWTBX-UHFFFAOYSA-N.1
Database identifiers
- CAS
1597-49-5、407-23-8- PubChem CID
- 291682
- Nikkaji
- J2.482.604J
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 201
Chemistry & industry
Upstream & downstream products
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Related reactions
3 records
Compound notes
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