2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid

C10H12FNO2 — CID 18439515

IUPAC2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid
SMILESNC(Cc1ccccc1CF)C(=O)O
InChIInChI=1S/C10H12FNO2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)
InChIKeyOGAPLHOPSKFVIH-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.11
Rot. Bonds4

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

2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid (PubChem CID 18439515) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid
PubChem CID18439515
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid
SMILESNC(Cc1ccccc1CF)C(=O)O
InChIInChI=1S/C10H12FNO2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)
InChIKeyOGAPLHOPSKFVIH-UHFFFAOYSA-N
XLogP1.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(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-benzylphenyl)propanoic acid;hydrochloride
CID 70054981
2-amino-3-[2-(2-fluoro-2-methylpropyl)phenyl]propanoic acid
CID 117350993
(2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid
CID 10447189
(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
(2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
CID 51358157
(2R)-2-amino-3-(2-boronophenyl)propanoic acid
CID 131503499
2-amino-3-(2,3-dibromophenyl)propanoic acid
CID 22326254
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-[2-(carbamoylamino)phenyl]propanoic acid
CID 141451014
(2S)-2-amino-3-(2-amino-3-fluorophenyl)propanoic acid
CID 55270399

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid (CID 18439515) is 2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid is NC(Cc1ccccc1CF)C(=O)O.
What is the InChIKey of 2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid?
The InChIKey is OGAPLHOPSKFVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14).
What are the key properties of 2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid?
2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid has a molecular weight of 197.21 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 18439515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).