(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid

C11H12FNO3 — CID 30120740

IUPAC(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)Cc1ccccc1F)C(=O)O
InChIInChI=1S/C11H12FNO3/c1-7(11(15)16)13-10(14)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)/t7-/m1/s1
InChIKeyRGGHILODSDGUFY-SSDOTTSWSA-N
MW225.22 g/mol
LogP0.96
Rot. Bonds4

About (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid

(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid (PubChem CID 30120740) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
PubChem CID30120740
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)Cc1ccccc1F)C(=O)O
InChIInChI=1S/C11H12FNO3/c1-7(11(15)16)13-10(14)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)/t7-/m1/s1
InChIKeyRGGHILODSDGUFY-SSDOTTSWSA-N
XLogP0.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799919
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid
CID 30115441
3-[[2-(2-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid
CID 75513395
(2R)-2-[[2-(2-iodophenyl)acetyl]amino]propanoic acid
CID 120526942
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090
2-(2-fluorophenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 84915033
2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 61244543
N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 62093310
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 120506125
2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]propanoic acid
CID 119225812
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid (CID 30120740) is (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid is C[C@@H](NC(=O)Cc1ccccc1F)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid?
The InChIKey is RGGHILODSDGUFY-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-7(11(15)16)13-10(14)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid?
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid has a molecular weight of 225.22 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 30120740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).