2-amino-3-[2-(2-fluoro-2-methylpropyl)phenyl]propanoic acid

C13H18FNO2 — CID 117350993

IUPAC2-amino-3-[2-(2-fluoro-2-methylpropyl)phenyl]propanoic acid
SMILESCC(C)(F)Cc1ccccc1CC(N)C(=O)O
InChIInChI=1S/C13H18FNO2/c1-13(2,14)8-10-6-4-3-5-9(10)7-11(15)12(16)17/h3-6,11H,7-8,15H2,1-2H3,(H,16,17)
InChIKeyUWLSIDORUODNGU-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.93
Rot. Bonds5

About 2-amino-3-[2-(2-fluoro-2-methylpropyl)phenyl]propanoic acid

2-amino-3-[2-(2-fluoro-2-methylpropyl)phenyl]propanoic acid (PubChem CID 117350993) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-amino-3-[2-(2-fluoro-2-methylpropyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-(2-fluoro-2-methylpropyl)phenyl]propanoic acid
PubChem CID117350993
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-amino-3-[2-(2-fluoro-2-methylpropyl)phenyl]propanoic acid
SMILESCC(C)(F)Cc1ccccc1CC(N)C(=O)O
InChIInChI=1S/C13H18FNO2/c1-13(2,14)8-10-6-4-3-5-9(10)7-11(15)12(16)17/h3-6,11H,7-8,15H2,1-2H3,(H,16,17)
InChIKeyUWLSIDORUODNGU-UHFFFAOYSA-N
XLogP1.93
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid
CID 18439515
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
2-amino-3-(2-methylsulfonylphenyl)propanoic acid
CID 117359904
(2S)-2-amino-3-[3-methyl-2-(trifluoromethyl)phenyl]propanoic acid
CID 139968570
2-amino-3-(2-benzylphenyl)propanoic acid;hydrochloride
CID 70054981
(2R)-2-amino-3-(2-boronophenyl)propanoic acid
CID 131503499
2-amino-1-[2-(2-fluoro-2-methylpropyl)phenyl]propan-1-one
CID 84688472
(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
(2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid
CID 10447189
(2S)-2-amino-3-[2-(deuteriomethyl)phenyl]propanoic acid
CID 123633145
2-amino-3-[2-[bis(2-chloroethyl)aminomethyl]phenyl]propanoic acid;hydrochloride
CID 23617681

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(2-fluoro-2-methylpropyl)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[2-(2-fluoro-2-methylpropyl)phenyl]propanoic acid (CID 117350993) is 2-amino-3-[2-(2-fluoro-2-methylpropyl)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-(2-fluoro-2-methylpropyl)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[2-(2-fluoro-2-methylpropyl)phenyl]propanoic acid is CC(C)(F)Cc1ccccc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[2-(2-fluoro-2-methylpropyl)phenyl]propanoic acid?
The InChIKey is UWLSIDORUODNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-13(2,14)8-10-6-4-3-5-9(10)7-11(15)12(16)17/h3-6,11H,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-3-[2-(2-fluoro-2-methylpropyl)phenyl]propanoic acid?
2-amino-3-[2-(2-fluoro-2-methylpropyl)phenyl]propanoic acid has a molecular weight of 239.29 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(2-fluoro-2-methylpropyl)phenyl]propanoic acid is sourced from PubChem (CID 117350993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).