(3R)-4-amino-3-(2-fluorophenyl)butanoic acid

C10H12FNO2 — CID 55275306

IUPAC(3R)-4-amino-3-(2-fluorophenyl)butanoic acid
SMILESNC[C@H](CC(=O)O)c1ccccc1F
InChIInChI=1S/C10H12FNO2/c11-9-4-2-1-3-8(9)7(6-12)5-10(13)14/h1-4,7H,5-6,12H2,(H,13,14)/t7-/m0/s1
InChIKeyZPEBKAZMSQXGJJ-ZETCQYMHSA-N
MW197.21 g/mol
LogP1.34
Rot. Bonds4

About (3R)-4-amino-3-(2-fluorophenyl)butanoic acid

(3R)-4-amino-3-(2-fluorophenyl)butanoic acid (PubChem CID 55275306) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is (3R)-4-amino-3-(2-fluorophenyl)butanoic acid.

Molecular Properties

Compound Name(3R)-4-amino-3-(2-fluorophenyl)butanoic acid
PubChem CID55275306
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name(3R)-4-amino-3-(2-fluorophenyl)butanoic acid
SMILESNC[C@H](CC(=O)O)c1ccccc1F
InChIInChI=1S/C10H12FNO2/c11-9-4-2-1-3-8(9)7(6-12)5-10(13)14/h1-4,7H,5-6,12H2,(H,13,14)/t7-/m0/s1
InChIKeyZPEBKAZMSQXGJJ-ZETCQYMHSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-5-amino-3-(2-fluorophenyl)-5-oxopentanoic acid
CID 97013866
4-amino-3-(4-bromo-2-fluorophenyl)butanoic acid
CID 84714296
3-(2-fluorophenyl)-5-(methylamino)-5-oxopentanoic acid
CID 82129844
4-amino-3-(2-tert-butylphenyl)butanoic acid
CID 84797586
2-(2-fluorophenyl)butanedioic acid
CID 50990542
4-amino-3-(3-fluoro-2-pyridinyl)butanoic acid
CID 84668127
5-amino-4-(2-fluorophenyl)pentan-2-ol
CID 81422471
4-amino-3-(3-bromo-2-hydroxyphenyl)butanoic acid
CID 82626071
2-(aminomethyl)-4-(2-fluorophenyl)hexanoic acid
CID 69267183
2-(2-fluorophenyl)-4-methylpentan-1-amine
CID 79001901
3-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81375006
4-amino-2-(2-fluorophenyl)butanoic acid
CID 82158228

Frequently Asked Questions

What is the IUPAC name of (3R)-4-amino-3-(2-fluorophenyl)butanoic acid?
The IUPAC name of (3R)-4-amino-3-(2-fluorophenyl)butanoic acid (CID 55275306) is (3R)-4-amino-3-(2-fluorophenyl)butanoic acid.
What is the SMILES notation for (3R)-4-amino-3-(2-fluorophenyl)butanoic acid?
The canonical SMILES for (3R)-4-amino-3-(2-fluorophenyl)butanoic acid is NC[C@H](CC(=O)O)c1ccccc1F.
What is the InChIKey of (3R)-4-amino-3-(2-fluorophenyl)butanoic acid?
The InChIKey is ZPEBKAZMSQXGJJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12FNO2/c11-9-4-2-1-3-8(9)7(6-12)5-10(13)14/h1-4,7H,5-6,12H2,(H,13,14)/t7-/m0/s1.
What are the key properties of (3R)-4-amino-3-(2-fluorophenyl)butanoic acid?
(3R)-4-amino-3-(2-fluorophenyl)butanoic acid has a molecular weight of 197.21 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-amino-3-(2-fluorophenyl)butanoic acid is sourced from PubChem (CID 55275306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).