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

C13H15FN2O3 — CID 81162694

IUPAC1-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
SMILESCN(C(=O)NC1(C(=O)O)CCC1)c1ccccc1F
InChIInChI=1S/C13H15FN2O3/c1-16(10-6-3-2-5-9(10)14)12(19)15-13(11(17)18)7-4-8-13/h2-3,5-6H,4,7-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyNPHWBKPVKYJDLM-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.98
Rot. Bonds3

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

1-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81162694) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81162694
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name1-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
SMILESCN(C(=O)NC1(C(=O)O)CCC1)c1ccccc1F
InChIInChI=1S/C13H15FN2O3/c1-16(10-6-3-2-5-9(10)14)12(19)15-13(11(17)18)7-4-8-13/h2-3,5-6H,4,7-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyNPHWBKPVKYJDLM-UHFFFAOYSA-N
XLogP1.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(4-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163040
4-[[methyl-(2-methylphenyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115293105
1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81164018
3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride
CID 174490608
2-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816362
1-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 107737300
1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162721
1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43162964
1-[[2-(2-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329539
1-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 62003071
3-methyl-1-[[methyl(phenyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61290337
N-(2-fluorophenyl)-N-methyl-2-sulfanylpropanamide
CID 107027766

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid (CID 81162694) is 1-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid is CN(C(=O)NC1(C(=O)O)CCC1)c1ccccc1F.
What is the InChIKey of 1-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is NPHWBKPVKYJDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-16(10-6-3-2-5-9(10)14)12(19)15-13(11(17)18)7-4-8-13/h2-3,5-6H,4,7-8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid?
1-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 266.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81162694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).