1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid

C13H15FN2O3 — CID 81162721

IUPAC1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
SMILESO=C(NCc1ccccc1F)NC1(C(=O)O)CCC1
InChIInChI=1S/C13H15FN2O3/c14-10-5-2-1-4-9(10)8-15-12(19)16-13(11(17)18)6-3-7-13/h1-2,4-5H,3,6-8H2,(H,17,18)(H2,15,16,19)
InChIKeyFYMBYPLYJKGOAY-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.63
Rot. Bonds4

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

1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid (PubChem CID 81162721) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
PubChem CID81162721
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
SMILESO=C(NCc1ccccc1F)NC1(C(=O)O)CCC1
InChIInChI=1S/C13H15FN2O3/c14-10-5-2-1-4-9(10)8-15-12(19)16-13(11(17)18)6-3-7-13/h1-2,4-5H,3,6-8H2,(H,17,18)(H2,15,16,19)
InChIKeyFYMBYPLYJKGOAY-UHFFFAOYSA-N
XLogP1.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(2-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329539
1-[(2-fluorophenyl)methyl]-3-(1-phenylcyclobutyl)urea
CID 113216919
1-[[2-(2,3-difluorophenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538773
1-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 119168113
1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81164018
1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 47091719
1-[2-(2-methoxyphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 106261987
1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81163003
1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61208643
1-[(3-chloro-4-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 62531746
1-(pyridin-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 16783827
1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162802

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid (CID 81162721) is 1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid is O=C(NCc1ccccc1F)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is FYMBYPLYJKGOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-10-5-2-1-4-9(10)8-15-12(19)16-13(11(17)18)6-3-7-13/h1-2,4-5H,3,6-8H2,(H,17,18)(H2,15,16,19).
What are the key properties of 1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid?
1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 266.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81162721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).