(3S)-3-amino-4,4,5,5,5-pentafluoropentanoic acid

C5H6F5NO2 — CID 135081165

IUPAC(3S)-3-amino-4,4,5,5,5-pentafluoropentanoic acid
SMILESN[C@@H](CC(=O)O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F5NO2/c6-4(7,5(8,9)10)2(11)1-3(12)13/h2H,1,11H2,(H,12,13)/t2-/m0/s1
InChIKeyFUZJPVUHRFLIIC-REOHCLBHSA-N
MW207.10 g/mol
LogP0.99
Rot. Bonds3

About (3S)-3-amino-4,4,5,5,5-pentafluoropentanoic acid

(3S)-3-amino-4,4,5,5,5-pentafluoropentanoic acid (PubChem CID 135081165) has the molecular formula C5H6F5NO2 and a molecular weight of 207.10 g/mol. Its IUPAC name is (3S)-3-amino-4,4,5,5,5-pentafluoropentanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-4,4,5,5,5-pentafluoropentanoic acid
PubChem CID135081165
Molecular FormulaC5H6F5NO2
Molecular Weight207.10 g/mol
Exact Mass207.03
IUPAC Name(3S)-3-amino-4,4,5,5,5-pentafluoropentanoic acid
SMILESN[C@@H](CC(=O)O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F5NO2/c6-4(7,5(8,9)10)2(11)1-3(12)13/h2H,1,11H2,(H,12,13)/t2-/m0/s1
InChIKeyFUZJPVUHRFLIIC-REOHCLBHSA-N
XLogP0.99
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.10
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid
CID 10575809
4,4,5,5,5-pentafluoro-3-hydroxypentanoic acid
CID 118209497
3-amino-5-fluoro-4,4-bis(fluoromethyl)pentanoic acid;hydrochloride
CID 174838740
3-amino-4,4-dimethylpentanoic acid;hydrochloride
CID 89306426
sodium;4-amino-3,3-bis(carboxymethyl)hexanedioic acid;hydride
CID 173286235
3-amino-4,4-dimethylhexanoic acid
CID 131229522
3,4,4,5,5,6,6,7,7,7-decafluoroheptanoic acid
CID 163324510
4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid
CID 2782190
ethyl (3R)-3-amino-4,4,5,5,6,6,6-heptafluorohexanoate
CID 171210387
3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-icosafluorododecanoic acid
CID 139595127
3,4,4,4-tetrafluorobutanoic acid
CID 83856312
(1S)-1-aminopropane-1,2,3-tricarboxylic acid
CID 20605454

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4,4,5,5,5-pentafluoropentanoic acid?
The IUPAC name of (3S)-3-amino-4,4,5,5,5-pentafluoropentanoic acid (CID 135081165) is (3S)-3-amino-4,4,5,5,5-pentafluoropentanoic acid.
What is the SMILES notation for (3S)-3-amino-4,4,5,5,5-pentafluoropentanoic acid?
The canonical SMILES for (3S)-3-amino-4,4,5,5,5-pentafluoropentanoic acid is N[C@@H](CC(=O)O)C(F)(F)C(F)(F)F.
What is the InChIKey of (3S)-3-amino-4,4,5,5,5-pentafluoropentanoic acid?
The InChIKey is FUZJPVUHRFLIIC-REOHCLBHSA-N. The full InChI is InChI=1S/C5H6F5NO2/c6-4(7,5(8,9)10)2(11)1-3(12)13/h2H,1,11H2,(H,12,13)/t2-/m0/s1.
What are the key properties of (3S)-3-amino-4,4,5,5,5-pentafluoropentanoic acid?
(3S)-3-amino-4,4,5,5,5-pentafluoropentanoic acid has a molecular weight of 207.10 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4,4,5,5,5-pentafluoropentanoic acid is sourced from PubChem (CID 135081165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).