2-(2-fluorophenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid

C13H16FNO2 — CID 115001941

IUPAC2-(2-fluorophenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid
SMILESCC1CC1NC(C)(C(=O)O)c1ccccc1F
InChIInChI=1S/C13H16FNO2/c1-8-7-11(8)15-13(2,12(16)17)9-5-3-4-6-10(9)14/h3-6,8,11,15H,7H2,1-2H3,(H,16,17)
InChIKeyIGHOHBWVHBVVGU-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.12
Rot. Bonds4

About 2-(2-fluorophenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid

2-(2-fluorophenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid (PubChem CID 115001941) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid
PubChem CID115001941
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-(2-fluorophenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid
SMILESCC1CC1NC(C)(C(=O)O)c1ccccc1F
InChIInChI=1S/C13H16FNO2/c1-8-7-11(8)15-13(2,12(16)17)9-5-3-4-6-10(9)14/h3-6,8,11,15H,7H2,1-2H3,(H,16,17)
InChIKeyIGHOHBWVHBVVGU-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclobutylamino)-2-(2-fluorophenyl)propanoic acid
CID 115001938
2-(2,5-dimethylphenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid
CID 114999802
2-[(2-methylcyclopropyl)amino]-2-(3-methylphenyl)propanoic acid
CID 115002847
(2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid
CID 55255014
methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate
CID 54894107
sodium;2-(2-fluorophenyl)-2-methylpropanoic acid;hydride
CID 173208060
2-(cyclopentylamino)-2-[2-(trifluoromethyl)phenyl]propanoic acid
CID 61002717
2-[cyclopropyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid
CID 114990361
1-(2-fluorophenyl)-1-(2-phenylcyclopropyl)ethanol
CID 116516707
[1-(2-fluorophenyl)-1-methoxyethyl]carbamic acid
CID 66877184
2,2-difluoro-2-(2-fluorophenyl)acetic acid
CID 62492425
2-(5-bromo-2-fluorophenyl)-2-(2-fluoroanilino)propanoic acid
CID 82955939

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid?
The IUPAC name of 2-(2-fluorophenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid (CID 115001941) is 2-(2-fluorophenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid?
The canonical SMILES for 2-(2-fluorophenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid is CC1CC1NC(C)(C(=O)O)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid?
The InChIKey is IGHOHBWVHBVVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-8-7-11(8)15-13(2,12(16)17)9-5-3-4-6-10(9)14/h3-6,8,11,15H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-fluorophenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid?
2-(2-fluorophenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid has a molecular weight of 237.27 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid is sourced from PubChem (CID 115001941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).