5-[[1-(4-fluorophenyl)cyclobutyl]amino]-5-oxopentanoic acid

C15H18FNO3 — CID 110442660

IUPAC5-[[1-(4-fluorophenyl)cyclobutyl]amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C15H18FNO3/c16-12-7-5-11(6-8-12)15(9-2-10-15)17-13(18)3-1-4-14(19)20/h5-8H,1-4,9-10H2,(H,17,18)(H,19,20)
InChIKeyYTHBRTYGJOWCTQ-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.58
Rot. Bonds6

About 5-[[1-(4-fluorophenyl)cyclobutyl]amino]-5-oxopentanoic acid

5-[[1-(4-fluorophenyl)cyclobutyl]amino]-5-oxopentanoic acid (PubChem CID 110442660) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 5-[[1-(4-fluorophenyl)cyclobutyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[1-(4-fluorophenyl)cyclobutyl]amino]-5-oxopentanoic acid
PubChem CID110442660
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name5-[[1-(4-fluorophenyl)cyclobutyl]amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C15H18FNO3/c16-12-7-5-11(6-8-12)15(9-2-10-15)17-13(18)3-1-4-14(19)20/h5-8H,1-4,9-10H2,(H,17,18)(H,19,20)
InChIKeyYTHBRTYGJOWCTQ-UHFFFAOYSA-N
XLogP2.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[1-(2-fluorophenyl)cyclopentyl]amino]-5-oxopentanoic acid
CID 110442663
3-(4-fluorophenyl)sulfanyl-N-(1-phenylcyclobutyl)propanamide
CID 55462573
2-amino-N-[1-(4-fluorophenyl)cyclopentyl]acetamide;hydrochloride
CID 119305589
N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide
CID 110477392
4-oxo-4-[(1-phenylcyclopentyl)amino]butanoic acid
CID 110442749
4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid
CID 110465792
2-(4-fluorophenoxy)-N-(1-phenylcyclobutyl)acetamide
CID 51264441
1-[1-(4-fluorophenyl)cyclobutyl]-3-prop-2-enylurea
CID 110469873
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960
N-[1-(4-fluorophenyl)cyclobutyl]cyclopropanecarboxamide
CID 47408173
N-[1-(4-fluorophenyl)cyclopropyl]-2-(methylamino)acetamide
CID 110460355
4-amino-N-[1-(4-chlorophenyl)cyclopentyl]butanamide
CID 119313669

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-fluorophenyl)cyclobutyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[1-(4-fluorophenyl)cyclobutyl]amino]-5-oxopentanoic acid (CID 110442660) is 5-[[1-(4-fluorophenyl)cyclobutyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[1-(4-fluorophenyl)cyclobutyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[1-(4-fluorophenyl)cyclobutyl]amino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NC1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 5-[[1-(4-fluorophenyl)cyclobutyl]amino]-5-oxopentanoic acid?
The InChIKey is YTHBRTYGJOWCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c16-12-7-5-11(6-8-12)15(9-2-10-15)17-13(18)3-1-4-14(19)20/h5-8H,1-4,9-10H2,(H,17,18)(H,19,20).
What are the key properties of 5-[[1-(4-fluorophenyl)cyclobutyl]amino]-5-oxopentanoic acid?
5-[[1-(4-fluorophenyl)cyclobutyl]amino]-5-oxopentanoic acid has a molecular weight of 279.31 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-fluorophenyl)cyclobutyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 110442660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).