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

C12H14FNO3 — CID 55232992

IUPAC2-[acetyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid
SMILESCC(=O)N(C)C(C)(C(=O)O)c1ccccc1F
InChIInChI=1S/C12H14FNO3/c1-8(15)14(3)12(2,11(16)17)9-6-4-5-7-10(9)13/h4-7H,1-3H3,(H,16,17)
InChIKeyOXYUYOAFUBFZIK-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.60
Rot. Bonds3

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

2-[acetyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid (PubChem CID 55232992) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid
PubChem CID55232992
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name2-[acetyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid
SMILESCC(=O)N(C)C(C)(C(=O)O)c1ccccc1F
InChIInChI=1S/C12H14FNO3/c1-8(15)14(3)12(2,11(16)17)9-6-4-5-7-10(9)13/h4-7H,1-3H3,(H,16,17)
InChIKeyOXYUYOAFUBFZIK-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(methyl)amino]-2-(2-bromophenyl)propanoic acid
CID 63704546
2-[cyclopropyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid
CID 114990361
(2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid
CID 55255014
sodium;2-(2-fluorophenyl)-2-methylpropanoic acid;hydride
CID 173208060
2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]propanoic acid
CID 63705318
2-[acetyl(methyl)amino]-2-(3-bromo-4-fluorophenyl)propanoic acid
CID 63705313
2,2-difluoro-2-(2-fluorophenyl)acetic acid
CID 62492425
(3S)-3-amino-3-(2-fluorophenyl)butan-2-one
CID 122592093
2-(dimethylamino)-2-(2-fluorophenyl)-3-phenylbutanoic acid
CID 77158006
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-3-phenylbutanoic acid
CID 67151218
2-(dimethylamino)-2-phenylpropanoic acid
CID 3613790
(2S)-2-(dimethylamino)-2-phenylpropanoic acid
CID 51374247

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid?
The IUPAC name of 2-[acetyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid (CID 55232992) is 2-[acetyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid is CC(=O)N(C)C(C)(C(=O)O)c1ccccc1F.
What is the InChIKey of 2-[acetyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid?
The InChIKey is OXYUYOAFUBFZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-8(15)14(3)12(2,11(16)17)9-6-4-5-7-10(9)13/h4-7H,1-3H3,(H,16,17).
What are the key properties of 2-[acetyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid?
2-[acetyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid has a molecular weight of 239.25 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 55232992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).