1-[[2-(2-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid

C13H14FNO3 — CID 81165037

IUPAC1-[[2-(2-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(Cc1ccccc1F)NC1(C(=O)O)CCC1
InChIInChI=1S/C13H14FNO3/c14-10-5-2-1-4-9(10)8-11(16)15-13(12(17)18)6-3-7-13/h1-2,4-5H,3,6-8H2,(H,15,16)(H,17,18)
InChIKeyCDHGTZLOXPGMKZ-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.49
Rot. Bonds4

About 1-[[2-(2-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid

1-[[2-(2-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81165037) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 1-[[2-(2-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81165037
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name1-[[2-(2-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(Cc1ccccc1F)NC1(C(=O)O)CCC1
InChIInChI=1S/C13H14FNO3/c14-10-5-2-1-4-9(10)8-11(16)15-13(12(17)18)6-3-7-13/h1-2,4-5H,3,6-8H2,(H,15,16)(H,17,18)
InChIKeyCDHGTZLOXPGMKZ-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid (CID 81165037) is 1-[[2-(2-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid is O=C(Cc1ccccc1F)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[2-(2-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is CDHGTZLOXPGMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c14-10-5-2-1-4-9(10)8-11(16)15-13(12(17)18)6-3-7-13/h1-2,4-5H,3,6-8H2,(H,15,16)(H,17,18).
What are the key properties of 1-[[2-(2-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-(2-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 251.26 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81165037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).