1-[[(4-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid

C13H15FN2O3 — CID 81163040

IUPAC1-[[(4-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
SMILESCN(C(=O)NC1(C(=O)O)CCC1)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O3/c1-16(10-5-3-9(14)4-6-10)12(19)15-13(11(17)18)7-2-8-13/h3-6H,2,7-8H2,1H3,(H,15,19)(H,17,18)
InChIKeySJPYMHINEVTBTN-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.98
Rot. Bonds3

About 1-[[(4-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid

1-[[(4-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81163040) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-[[(4-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81163040
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name1-[[(4-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
SMILESCN(C(=O)NC1(C(=O)O)CCC1)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O3/c1-16(10-5-3-9(14)4-6-10)12(19)15-13(11(17)18)7-2-8-13/h3-6H,2,7-8H2,1H3,(H,15,19)(H,17,18)
InChIKeySJPYMHINEVTBTN-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-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81162694
1-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 62003071
1-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 107737300
3-methyl-1-[[methyl(phenyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61290337
1-(4-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-methylurea
CID 166317834
2-[[(4-fluorophenyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82764528
N-(4-fluorophenyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide
CID 126781555
1-(4-fluorophenyl)-1-methyl-3-propan-2-ylurea
CID 115588406
1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 81169719
3-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-(4-fluorophenyl)-1-methylurea
CID 166317920
1-methyl-1-phenyl-3-(1-phenylcyclobutyl)urea
CID 110469555
1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 43163270

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(4-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid (CID 81163040) is 1-[[(4-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid is CN(C(=O)NC1(C(=O)O)CCC1)c1ccc(F)cc1.
What is the InChIKey of 1-[[(4-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is SJPYMHINEVTBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-16(10-5-3-9(14)4-6-10)12(19)15-13(11(17)18)7-2-8-13/h3-6H,2,7-8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[[(4-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid?
1-[[(4-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-[[(4-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81163040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).