(2R)-2-cyano-3-(2-fluorophenyl)propanoic acid

C10H8FNO2 — CID 27282051

IUPAC(2R)-2-cyano-3-(2-fluorophenyl)propanoic acid
SMILESN#C[C@@H](Cc1ccccc1F)C(=O)O
InChIInChI=1S/C10H8FNO2/c11-9-4-2-1-3-7(9)5-8(6-12)10(13)14/h1-4,8H,5H2,(H,13,14)/t8-/m1/s1
InChIKeyRUWFZSIJRKSEKF-MRVPVSSYSA-N
MW193.18 g/mol
LogP1.59
Rot. Bonds3

About (2R)-2-cyano-3-(2-fluorophenyl)propanoic acid

(2R)-2-cyano-3-(2-fluorophenyl)propanoic acid (PubChem CID 27282051) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is (2R)-2-cyano-3-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-cyano-3-(2-fluorophenyl)propanoic acid
PubChem CID27282051
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name(2R)-2-cyano-3-(2-fluorophenyl)propanoic acid
SMILESN#C[C@@H](Cc1ccccc1F)C(=O)O
InChIInChI=1S/C10H8FNO2/c11-9-4-2-1-3-7(9)5-8(6-12)10(13)14/h1-4,8H,5H2,(H,13,14)/t8-/m1/s1
InChIKeyRUWFZSIJRKSEKF-MRVPVSSYSA-N
XLogP1.59
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-cyano-3-(2-fluorophenyl)propanoate
CID 70700074
(2R)-2-cyano-3-(2,4-difluorophenyl)propanoic acid
CID 129353721
2-cyano-3-[2-(trifluoromethoxy)phenyl]propanoic acid
CID 53487600
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
(2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
CID 42329482
2-[(2-fluorophenyl)methyl]-3-sulfanylpropanoic acid
CID 15673449
2-fluoro-4-(2-fluorophenyl)-3-methylbutanoic acid
CID 114832240
3-(2-fluorophenyl)-2-phosphonopropanoic acid
CID 152752662
2-[(2-fluorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 83137365
2-(2-bromophenyl)-3-(2-fluorophenyl)propanoic acid
CID 79439725
2-(aminomethyl)-3-(2-fluorophenyl)propanenitrile
CID 82503559

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-3-(2-fluorophenyl)propanoic acid?
The IUPAC name of (2R)-2-cyano-3-(2-fluorophenyl)propanoic acid (CID 27282051) is (2R)-2-cyano-3-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-cyano-3-(2-fluorophenyl)propanoic acid?
The canonical SMILES for (2R)-2-cyano-3-(2-fluorophenyl)propanoic acid is N#C[C@@H](Cc1ccccc1F)C(=O)O.
What is the InChIKey of (2R)-2-cyano-3-(2-fluorophenyl)propanoic acid?
The InChIKey is RUWFZSIJRKSEKF-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H8FNO2/c11-9-4-2-1-3-7(9)5-8(6-12)10(13)14/h1-4,8H,5H2,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-cyano-3-(2-fluorophenyl)propanoic acid?
(2R)-2-cyano-3-(2-fluorophenyl)propanoic acid has a molecular weight of 193.18 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-3-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 27282051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).