3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid

C21H22FNO3 — CID 120701332

IUPAC3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid
SMILESCC(CNC(=O)C1(c2cccc(F)c2)CCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C21H22FNO3/c1-20(19(25)26,15-7-3-2-4-8-15)14-23-18(24)21(11-6-12-21)16-9-5-10-17(22)13-16/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,23,24)(H,25,26)
InChIKeyNEYCDKVPGYBYKF-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.41
Rot. Bonds6

About 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid

3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid (PubChem CID 120701332) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid
PubChem CID120701332
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid
SMILESCC(CNC(=O)C1(c2cccc(F)c2)CCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C21H22FNO3/c1-20(19(25)26,15-7-3-2-4-8-15)14-23-18(24)21(11-6-12-21)16-9-5-10-17(22)13-16/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,23,24)(H,25,26)
InChIKeyNEYCDKVPGYBYKF-UHFFFAOYSA-N
XLogP3.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249767
N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 119639919
3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701200
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 112792896
1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide
CID 111337686
1-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)cyclopropane-1-carboxamide
CID 139815337
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684
N-[2-[(S)-tert-butylsulfinyl]ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 95623396
N-(2-ethyl-2-hydroxybutyl)-1-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 111483353
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid (CID 120701332) is 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid is CC(CNC(=O)C1(c2cccc(F)c2)CCC1)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid?
The InChIKey is NEYCDKVPGYBYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO3/c1-20(19(25)26,15-7-3-2-4-8-15)14-23-18(24)21(11-6-12-21)16-9-5-10-17(22)13-16/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid?
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid has a molecular weight of 355.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 120701332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).