2-[3-[[1-(fluoromethyl)cyclobutanecarbonyl]amino]-2-oxoazepan-1-yl]acetic acid

C14H21FN2O4 — CID 138028588

IUPAC2-[3-[[1-(fluoromethyl)cyclobutanecarbonyl]amino]-2-oxoazepan-1-yl]acetic acid
SMILESO=C(O)CN1CCCCC(NC(=O)C2(CF)CCC2)C1=O
InChIInChI=1S/C14H21FN2O4/c15-9-14(5-3-6-14)13(21)16-10-4-1-2-7-17(12(10)20)8-11(18)19/h10H,1-9H2,(H,16,21)(H,18,19)
InChIKeyWTZRJINHZZKHEU-UHFFFAOYSA-N
MW300.33 g/mol
LogP0.71
Rot. Bonds5

About 2-[3-[[1-(fluoromethyl)cyclobutanecarbonyl]amino]-2-oxoazepan-1-yl]acetic acid

2-[3-[[1-(fluoromethyl)cyclobutanecarbonyl]amino]-2-oxoazepan-1-yl]acetic acid (PubChem CID 138028588) has the molecular formula C14H21FN2O4 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-[3-[[1-(fluoromethyl)cyclobutanecarbonyl]amino]-2-oxoazepan-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[1-(fluoromethyl)cyclobutanecarbonyl]amino]-2-oxoazepan-1-yl]acetic acid
PubChem CID138028588
Molecular FormulaC14H21FN2O4
Molecular Weight300.33 g/mol
Exact Mass300.15
IUPAC Name2-[3-[[1-(fluoromethyl)cyclobutanecarbonyl]amino]-2-oxoazepan-1-yl]acetic acid
SMILESO=C(O)CN1CCCCC(NC(=O)C2(CF)CCC2)C1=O
InChIInChI=1S/C14H21FN2O4/c15-9-14(5-3-6-14)13(21)16-10-4-1-2-7-17(12(10)20)8-11(18)19/h10H,1-9H2,(H,16,21)(H,18,19)
InChIKeyWTZRJINHZZKHEU-UHFFFAOYSA-N
XLogP0.71
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[[1-(fluoromethyl)cyclobutanecarbonyl]amino]-2-oxoazepan-1-yl]acetic acid with MolForge

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Related Compounds

2-[3-[(4,4-difluorocyclohexanecarbonyl)amino]-2-oxoazepan-1-yl]acetic acid
CID 138028587
2-[(3S)-3-(methylamino)-2-oxoazepan-1-yl]acetic acid
CID 66806132
2-[3-(dimethylcarbamoylamino)-2-oxoazepan-1-yl]acetic acid
CID 22945879
2-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazepan-1-yl]acetic acid
CID 10779565
2-[(3S)-2-oxo-3-(pent-4-enoylamino)azepan-1-yl]acetic acid
CID 149368310
2-[3-[(3,5-dimethylthiophene-2-carbonyl)amino]-2-oxoazepan-1-yl]acetic acid
CID 155954311
2-[3-[3-(oxan-4-yl)propanoylamino]-2-oxoazepan-1-yl]acetic acid
CID 138028605
2-[(3R)-3-[(4-methylphenyl)methoxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid
CID 142159179
2-[2-oxo-3-[[2-(1,3-thiazol-4-yl)acetyl]amino]azepan-1-yl]acetic acid
CID 154867067
2-[3-[(2,2-dimethyl-3-phenylpropanoyl)amino]-2-oxoazepan-1-yl]acetic acid
CID 138056043
2-(3-amino-2-oxoazonan-1-yl)acetic acid
CID 23322748
2-[3-[[2-(5-chloro-2-pyridinyl)acetyl]amino]-2-oxoazepan-1-yl]acetic acid
CID 154843947

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(fluoromethyl)cyclobutanecarbonyl]amino]-2-oxoazepan-1-yl]acetic acid?
The IUPAC name of 2-[3-[[1-(fluoromethyl)cyclobutanecarbonyl]amino]-2-oxoazepan-1-yl]acetic acid (CID 138028588) is 2-[3-[[1-(fluoromethyl)cyclobutanecarbonyl]amino]-2-oxoazepan-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[1-(fluoromethyl)cyclobutanecarbonyl]amino]-2-oxoazepan-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[1-(fluoromethyl)cyclobutanecarbonyl]amino]-2-oxoazepan-1-yl]acetic acid is O=C(O)CN1CCCCC(NC(=O)C2(CF)CCC2)C1=O.
What is the InChIKey of 2-[3-[[1-(fluoromethyl)cyclobutanecarbonyl]amino]-2-oxoazepan-1-yl]acetic acid?
The InChIKey is WTZRJINHZZKHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4/c15-9-14(5-3-6-14)13(21)16-10-4-1-2-7-17(12(10)20)8-11(18)19/h10H,1-9H2,(H,16,21)(H,18,19).
What are the key properties of 2-[3-[[1-(fluoromethyl)cyclobutanecarbonyl]amino]-2-oxoazepan-1-yl]acetic acid?
2-[3-[[1-(fluoromethyl)cyclobutanecarbonyl]amino]-2-oxoazepan-1-yl]acetic acid has a molecular weight of 300.33 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(fluoromethyl)cyclobutanecarbonyl]amino]-2-oxoazepan-1-yl]acetic acid is sourced from PubChem (CID 138028588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).