(2R)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid

C9H6F5NO2 — CID 6992999

IUPAC(2R)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid
SMILESN[C@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)O
InChIInChI=1S/C9H6F5NO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m1/s1
InChIKeyYYTDJPUFAVPHQA-GSVOUGTGSA-N
MW255.14 g/mol
LogP1.34
Rot. Bonds3

About (2R)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid

(2R)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid (PubChem CID 6992999) has the molecular formula C9H6F5NO2 and a molecular weight of 255.14 g/mol. Its IUPAC name is (2R)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid
PubChem CID6992999
Molecular FormulaC9H6F5NO2
Molecular Weight255.14 g/mol
Exact Mass255.03
IUPAC Name(2R)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid
SMILESN[C@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)O
InChIInChI=1S/C9H6F5NO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m1/s1
InChIKeyYYTDJPUFAVPHQA-GSVOUGTGSA-N
XLogP1.34
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(4-bromo-2,3,5,6-tetrafluorophenyl)propanoic acid
CID 117115250
methyl (2S)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoate
CID 101254034
(2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid
CID 10846511
(2S)-2-amino-3-(2,6-difluoro-3-methylphenyl)propanoic acid
CID 68718009
(2S)-2-amino-3-(2,6-difluoro-3-hydroxyphenyl)propanoic acid
CID 131883206
2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoic acid
CID 170879455
2-amino-3-(2,6-difluoro-3-propan-2-ylphenyl)propanoic acid
CID 117359427
2-amino-3-(2-carbamoyl-5,6-difluoro-4-methoxy-3-methylphenyl)propanoic acid
CID 178095812
(2S)-2-amino-3-(2,6-difluoro-3-methoxyphenyl)propanoic acid
CID 93478159
(2R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2,3,4,5,6-pentafluorophenyl)butanoic acid
CID 57376503
[4-(2-amino-2-carboxyethyl)-5-fluoro-1H-pyrazol-3-yl]astatine
CID 178095561
(2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid
CID 93478162

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid (CID 6992999) is (2R)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid is N[C@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid?
The InChIKey is YYTDJPUFAVPHQA-GSVOUGTGSA-N. The full InChI is InChI=1S/C9H6F5NO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m1/s1.
What are the key properties of (2R)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid?
(2R)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid has a molecular weight of 255.14 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid is sourced from PubChem (CID 6992999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).