2-[[2-(4-fluorophenyl)cyclobutanecarbonyl]amino]butanedioic acid

C15H16FNO5 — CID 155964479

IUPAC2-[[2-(4-fluorophenyl)cyclobutanecarbonyl]amino]butanedioic acid
SMILESO=C(O)CC(NC(=O)C1CCC1c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H16FNO5/c16-9-3-1-8(2-4-9)10-5-6-11(10)14(20)17-12(15(21)22)7-13(18)19/h1-4,10-12H,5-7H2,(H,17,20)(H,18,19)(H,21,22)
InChIKeyQSLFZWMUOSJXRT-UHFFFAOYSA-N
MW309.29 g/mol
LogP1.36
Rot. Bonds6

About 2-[[2-(4-fluorophenyl)cyclobutanecarbonyl]amino]butanedioic acid

2-[[2-(4-fluorophenyl)cyclobutanecarbonyl]amino]butanedioic acid (PubChem CID 155964479) has the molecular formula C15H16FNO5 and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)cyclobutanecarbonyl]amino]butanedioic acid.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)cyclobutanecarbonyl]amino]butanedioic acid
PubChem CID155964479
Molecular FormulaC15H16FNO5
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name2-[[2-(4-fluorophenyl)cyclobutanecarbonyl]amino]butanedioic acid
SMILESO=C(O)CC(NC(=O)C1CCC1c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H16FNO5/c16-9-3-1-8(2-4-9)10-5-6-11(10)14(20)17-12(15(21)22)7-13(18)19/h1-4,10-12H,5-7H2,(H,17,20)(H,18,19)(H,21,22)
InChIKeyQSLFZWMUOSJXRT-UHFFFAOYSA-N
XLogP1.36
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)cyclobutanecarbonyl]amino]butanedioic acid?
The IUPAC name of 2-[[2-(4-fluorophenyl)cyclobutanecarbonyl]amino]butanedioic acid (CID 155964479) is 2-[[2-(4-fluorophenyl)cyclobutanecarbonyl]amino]butanedioic acid.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)cyclobutanecarbonyl]amino]butanedioic acid?
The canonical SMILES for 2-[[2-(4-fluorophenyl)cyclobutanecarbonyl]amino]butanedioic acid is O=C(O)CC(NC(=O)C1CCC1c1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-[[2-(4-fluorophenyl)cyclobutanecarbonyl]amino]butanedioic acid?
The InChIKey is QSLFZWMUOSJXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO5/c16-9-3-1-8(2-4-9)10-5-6-11(10)14(20)17-12(15(21)22)7-13(18)19/h1-4,10-12H,5-7H2,(H,17,20)(H,18,19)(H,21,22).
What are the key properties of 2-[[2-(4-fluorophenyl)cyclobutanecarbonyl]amino]butanedioic acid?
2-[[2-(4-fluorophenyl)cyclobutanecarbonyl]amino]butanedioic acid has a molecular weight of 309.29 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)cyclobutanecarbonyl]amino]butanedioic acid is sourced from PubChem (CID 155964479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).