4-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]butanoic acid

C15H19FN2O3 — CID 122012972

IUPAC4-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)NC1CC(c2ccccc2F)C1
InChIInChI=1S/C15H19FN2O3/c16-13-5-2-1-4-12(13)10-8-11(9-10)18-15(21)17-7-3-6-14(19)20/h1-2,4-5,10-11H,3,6-9H2,(H,19,20)(H2,17,18,21)
InChIKeyFSBLRTIFCWGABC-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.24
Rot. Bonds6

About 4-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]butanoic acid

4-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]butanoic acid (PubChem CID 122012972) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]butanoic acid
PubChem CID122012972
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name4-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)NC1CC(c2ccccc2F)C1
InChIInChI=1S/C15H19FN2O3/c16-13-5-2-1-4-12(13)10-8-11(9-10)18-15(21)17-7-3-6-14(19)20/h1-2,4-5,10-11H,3,6-9H2,(H,19,20)(H2,17,18,21)
InChIKeyFSBLRTIFCWGABC-UHFFFAOYSA-N
XLogP2.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]propanoic acid
CID 122012971
4-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]butanoic acid
CID 122011176
4-[[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]carbamoylamino]butanoic acid
CID 122013472
5-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanamide
CID 106233343
4-[[3-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamoylamino]butanoic acid
CID 122013012
methyl 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butanoate
CID 60782595
1-[[3-(4-chlorophenyl)cyclobutyl]methyl]-3-[3-(2-fluorophenyl)cyclobutyl]urea
CID 166369688
4-[(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoylamino]butanoic acid
CID 122005494
4-[(3-fluorocyclopentyl)carbamoylamino]butanoic acid
CID 122014337
5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732933
4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid
CID 60782936
3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid
CID 114007977

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]butanoic acid?
The IUPAC name of 4-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]butanoic acid (CID 122012972) is 4-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]butanoic acid?
The canonical SMILES for 4-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]butanoic acid is O=C(O)CCCNC(=O)NC1CC(c2ccccc2F)C1.
What is the InChIKey of 4-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]butanoic acid?
The InChIKey is FSBLRTIFCWGABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-13-5-2-1-4-12(13)10-8-11(9-10)18-15(21)17-7-3-6-14(19)20/h1-2,4-5,10-11H,3,6-9H2,(H,19,20)(H2,17,18,21).
What are the key properties of 4-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]butanoic acid?
4-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]butanoic acid has a molecular weight of 294.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]butanoic acid is sourced from PubChem (CID 122012972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).