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

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

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Related Compounds

(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 129446041
3-[4-[(1R,2R)-2-[[2-amino-1-(4-fluorophenyl)-2-oxoethyl]carbamoyl]cyclohexyl]phenyl]propanoic acid
CID 59111384
4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-5-phenylpentanoic acid
CID 120547279
(3S,4R)-4-(4-fluorophenyl)piperidin-1-ide-3-carboxylic acid;tungsten
CID 59215176
(2R)-4-hydroxy-2-[(2-phenylcyclopropanecarbonyl)amino]butanoic acid
CID 107823606
(2S)-2-[[(1S,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129469510
2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 66485215
(2R)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid
CID 119367456
(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(4-methoxyphenyl)acetic acid
CID 129469534
2-naphthalen-1-yl-2-[(2-phenylcyclobutanecarbonyl)amino]acetic acid
CID 166319656
2-[[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 120537896
2-(2,3-dihydro-1H-indene-2-carbonylamino)butanedioic acid
CID 106892454

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).