cyclopentyl 3-amino-5-fluoro-4-methylbenzoate

C13H16FNO2 — CID 61309816

IUPACcyclopentyl 3-amino-5-fluoro-4-methylbenzoate
SMILESCc1c(N)cc(C(=O)OC2CCCC2)cc1F
InChIInChI=1S/C13H16FNO2/c1-8-11(14)6-9(7-12(8)15)13(16)17-10-4-2-3-5-10/h6-7,10H,2-5,15H2,1H3
InChIKeyYRSBTHYLBSILLV-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.82
Rot. Bonds2

About cyclopentyl 3-amino-5-fluoro-4-methylbenzoate

cyclopentyl 3-amino-5-fluoro-4-methylbenzoate (PubChem CID 61309816) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is cyclopentyl 3-amino-5-fluoro-4-methylbenzoate.

Molecular Properties

Compound Namecyclopentyl 3-amino-5-fluoro-4-methylbenzoate
PubChem CID61309816
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Namecyclopentyl 3-amino-5-fluoro-4-methylbenzoate
SMILESCc1c(N)cc(C(=O)OC2CCCC2)cc1F
InChIInChI=1S/C13H16FNO2/c1-8-11(14)6-9(7-12(8)15)13(16)17-10-4-2-3-5-10/h6-7,10H,2-5,15H2,1H3
InChIKeyYRSBTHYLBSILLV-UHFFFAOYSA-N
XLogP2.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl 3-amino-5-fluoro-4-methylbenzoate
CID 61310617
cycloheptyl 3-amino-5-fluoro-4-methylbenzoate
CID 61310474
(1,1-dioxothiolan-3-yl) 3-amino-5-fluoro-4-methylbenzoate
CID 61314348
cyclohexyl 3-fluoro-4-methyl-5-sulfamoylbenzoate
CID 65381640
cyclopentyl 3,5-diamino-4-tert-butylbenzoate
CID 20514746
cyclopentyl 3-amino-4-fluorobenzoate
CID 61279217
cyclopentyl 3-amino-4-methylbenzoate
CID 61278814
3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide
CID 60861850
cyclohexyl 3,5-diamino-4-(2,3-dimethylbutan-2-yl)benzoate
CID 70543280
[2-(cyclopropylamino)-2-oxoethyl] 3-amino-5-fluoro-4-methylbenzoate
CID 61316994
propyl 3-amino-5-fluoro-4-methylbenzoate
CID 61308274
2-methoxyethyl 3-amino-5-fluoro-4-methylbenzoate
CID 61309264

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 3-amino-5-fluoro-4-methylbenzoate?
The IUPAC name of cyclopentyl 3-amino-5-fluoro-4-methylbenzoate (CID 61309816) is cyclopentyl 3-amino-5-fluoro-4-methylbenzoate.
What is the SMILES notation for cyclopentyl 3-amino-5-fluoro-4-methylbenzoate?
The canonical SMILES for cyclopentyl 3-amino-5-fluoro-4-methylbenzoate is Cc1c(N)cc(C(=O)OC2CCCC2)cc1F.
What is the InChIKey of cyclopentyl 3-amino-5-fluoro-4-methylbenzoate?
The InChIKey is YRSBTHYLBSILLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-8-11(14)6-9(7-12(8)15)13(16)17-10-4-2-3-5-10/h6-7,10H,2-5,15H2,1H3.
What are the key properties of cyclopentyl 3-amino-5-fluoro-4-methylbenzoate?
cyclopentyl 3-amino-5-fluoro-4-methylbenzoate has a molecular weight of 237.27 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 3-amino-5-fluoro-4-methylbenzoate is sourced from PubChem (CID 61309816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).