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

C13H16FNO2 — CID 114990361

IUPAC2-[cyclopropyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid
SMILESCN(C1CC1)C(C)(C(=O)O)c1ccccc1F
InChIInChI=1S/C13H16FNO2/c1-13(12(16)17,15(2)9-7-8-9)10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,16,17)
InChIKeyNWWRDSBASHPIEZ-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.22
Rot. Bonds4

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

2-[cyclopropyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid (PubChem CID 114990361) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid
PubChem CID114990361
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-[cyclopropyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid
SMILESCN(C1CC1)C(C)(C(=O)O)c1ccccc1F
InChIInChI=1S/C13H16FNO2/c1-13(12(16)17,15(2)9-7-8-9)10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,16,17)
InChIKeyNWWRDSBASHPIEZ-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid
CID 55232992
(2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid
CID 55255014
sodium;2-(2-fluorophenyl)-2-methylpropanoic acid;hydride
CID 173208060
2-(cyclobutylamino)-2-(2-fluorophenyl)propanoic acid
CID 115001938
2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid
CID 18922154
2-[acetyl(cyclopropyl)amino]-2-phenylpropanoic acid
CID 63703192
2,2-difluoro-2-(2-fluorophenyl)acetic acid
CID 62492425
4-[[2-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 119230227
2-(2-fluorophenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid
CID 115001941
1-cyclopropyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)urea
CID 110913086
(3S)-1-[2-(2-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid
CID 124682167
2-(2-fluorophenyl)-2-pyrazol-1-ylpropanoic acid
CID 114993824

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid (CID 114990361) is 2-[cyclopropyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid is CN(C1CC1)C(C)(C(=O)O)c1ccccc1F.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid?
The InChIKey is NWWRDSBASHPIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-13(12(16)17,15(2)9-7-8-9)10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[cyclopropyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid?
2-[cyclopropyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid has a molecular weight of 237.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 114990361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).