2-[1-[[(2-fluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid

C14H17FN2O3 — CID 81164735

IUPAC2-[1-[[(2-fluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)Nc2ccccc2F)CCC1
InChIInChI=1S/C14H17FN2O3/c15-10-4-1-2-5-11(10)17-13(20)16-9-14(6-3-7-14)8-12(18)19/h1-2,4-5H,3,6-9H2,(H,18,19)(H2,16,17,20)
InChIKeyXHLCYKQXNSRKCA-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.59
Rot. Bonds5

About 2-[1-[[(2-fluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid

2-[1-[[(2-fluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid (PubChem CID 81164735) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[1-[[(2-fluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(2-fluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
PubChem CID81164735
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name2-[1-[[(2-fluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)Nc2ccccc2F)CCC1
InChIInChI=1S/C14H17FN2O3/c15-10-4-1-2-5-11(10)17-13(20)16-9-14(6-3-7-14)8-12(18)19/h1-2,4-5H,3,6-9H2,(H,18,19)(H2,16,17,20)
InChIKeyXHLCYKQXNSRKCA-UHFFFAOYSA-N
XLogP2.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81165102
2-[1-[2-(2-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662542
1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619728
2-[1-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81163884
2-[1-[[(2,3,4-trifluorobenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165406
1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 71804938
1-(2-fluorophenyl)-3-[(3-methyloxetan-3-yl)methyl]urea
CID 112690764
1-(2,4-difluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea
CID 115683139
1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea
CID 118761811
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
2-[1-[[(3-amino-2-phenylpropanoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164548
2-[1-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81164897

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2-fluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(2-fluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid (CID 81164735) is 2-[1-[[(2-fluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(2-fluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(2-fluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)Nc2ccccc2F)CCC1.
What is the InChIKey of 2-[1-[[(2-fluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid?
The InChIKey is XHLCYKQXNSRKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-10-4-1-2-5-11(10)17-13(20)16-9-14(6-3-7-14)8-12(18)19/h1-2,4-5H,3,6-9H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[1-[[(2-fluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid?
2-[1-[[(2-fluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid has a molecular weight of 280.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2-fluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81164735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).