2-(cyclobutylamino)-2-(2-fluorophenyl)propanoic acid

C13H16FNO2 — CID 115001938

IUPAC2-(cyclobutylamino)-2-(2-fluorophenyl)propanoic acid
SMILESCC(NC1CCC1)(C(=O)O)c1ccccc1F
InChIInChI=1S/C13H16FNO2/c1-13(12(16)17,15-9-5-4-6-9)10-7-2-3-8-11(10)14/h2-3,7-9,15H,4-6H2,1H3,(H,16,17)
InChIKeyCAZFVZSXPHTTSV-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.27
Rot. Bonds4

About 2-(cyclobutylamino)-2-(2-fluorophenyl)propanoic acid

2-(cyclobutylamino)-2-(2-fluorophenyl)propanoic acid (PubChem CID 115001938) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(cyclobutylamino)-2-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(cyclobutylamino)-2-(2-fluorophenyl)propanoic acid
PubChem CID115001938
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-(cyclobutylamino)-2-(2-fluorophenyl)propanoic acid
SMILESCC(NC1CCC1)(C(=O)O)c1ccccc1F
InChIInChI=1S/C13H16FNO2/c1-13(12(16)17,15-9-5-4-6-9)10-7-2-3-8-11(10)14/h2-3,7-9,15H,4-6H2,1H3,(H,16,17)
InChIKeyCAZFVZSXPHTTSV-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate
CID 54894107
2-(cyclopentylamino)-2-[2-(trifluoromethyl)phenyl]propanoic acid
CID 61002717
2-(2-fluorophenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid
CID 115001941
2-(cyclopentylamino)-2-(2,5-dichlorophenyl)propanoic acid
CID 61002117
(2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid
CID 55255014
2-(cycloheptylamino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 60997964
2-(cycloheptylamino)-2-(2,4-dimethylphenyl)propanoic acid
CID 60997722
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 60998426
2-(4-bromo-2-chlorophenyl)-2-(cyclopentylamino)propanoic acid
CID 82773455
2-(cycloheptylamino)-2-phenylpropanamide
CID 54892648
2-(cycloheptylamino)-2-(2,4-difluorophenyl)propanamide
CID 60997602
2-(cyclopentylamino)-3-(2-fluorophenyl)-2-methylpropanamide
CID 114831945

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-2-(2-fluorophenyl)propanoic acid?
The IUPAC name of 2-(cyclobutylamino)-2-(2-fluorophenyl)propanoic acid (CID 115001938) is 2-(cyclobutylamino)-2-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-(cyclobutylamino)-2-(2-fluorophenyl)propanoic acid?
The canonical SMILES for 2-(cyclobutylamino)-2-(2-fluorophenyl)propanoic acid is CC(NC1CCC1)(C(=O)O)c1ccccc1F.
What is the InChIKey of 2-(cyclobutylamino)-2-(2-fluorophenyl)propanoic acid?
The InChIKey is CAZFVZSXPHTTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-13(12(16)17,15-9-5-4-6-9)10-7-2-3-8-11(10)14/h2-3,7-9,15H,4-6H2,1H3,(H,16,17).
What are the key properties of 2-(cyclobutylamino)-2-(2-fluorophenyl)propanoic acid?
2-(cyclobutylamino)-2-(2-fluorophenyl)propanoic acid has a molecular weight of 237.27 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-2-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 115001938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).