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

C13H14FNO3 — CID 119171698

IUPAC2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C13H14FNO3/c14-10-4-1-3-9(7-10)13(5-2-6-13)12(18)15-8-11(16)17/h1,3-4,7H,2,5-6,8H2,(H,15,18)(H,16,17)
InChIKeyHWPTZIPGXHINCZ-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.45
Rot. Bonds4

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

2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid (PubChem CID 119171698) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
PubChem CID119171698
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C13H14FNO3/c14-10-4-1-3-9(7-10)13(5-2-6-13)12(18)15-8-11(16)17/h1,3-4,7H,2,5-6,8H2,(H,15,18)(H,16,17)
InChIKeyHWPTZIPGXHINCZ-UHFFFAOYSA-N
XLogP1.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetic acid
CID 45435122
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692
1-(3-fluorophenyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 110904346
1-(3-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]cyclobutane-1-carboxamide
CID 55748767
3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249767
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 86920088
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 55900607
N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 119639919
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701332
N-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride
CID 119547553

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid (CID 119171698) is 2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid is O=C(O)CNC(=O)C1(c2cccc(F)c2)CCC1.
What is the InChIKey of 2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid?
The InChIKey is HWPTZIPGXHINCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c14-10-4-1-3-9(7-10)13(5-2-6-13)12(18)15-8-11(16)17/h1,3-4,7H,2,5-6,8H2,(H,15,18)(H,16,17).
What are the key properties of 2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid?
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid has a molecular weight of 251.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid is sourced from PubChem (CID 119171698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).