methyl 2-[cyclopentyl-(2-fluoro-4-hydroxybenzoyl)amino]acetate

C15H18FNO4 — CID 107677270

IUPACmethyl 2-[cyclopentyl-(2-fluoro-4-hydroxybenzoyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1ccc(O)cc1F)C1CCCC1
InChIInChI=1S/C15H18FNO4/c1-21-14(19)9-17(10-4-2-3-5-10)15(20)12-7-6-11(18)8-13(12)16/h6-8,10,18H,2-5,9H2,1H3
InChIKeyCQCSJVFPOXWXPK-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.09
Rot. Bonds4

About methyl 2-[cyclopentyl-(2-fluoro-4-hydroxybenzoyl)amino]acetate

methyl 2-[cyclopentyl-(2-fluoro-4-hydroxybenzoyl)amino]acetate (PubChem CID 107677270) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-(2-fluoro-4-hydroxybenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-(2-fluoro-4-hydroxybenzoyl)amino]acetate
PubChem CID107677270
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Namemethyl 2-[cyclopentyl-(2-fluoro-4-hydroxybenzoyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1ccc(O)cc1F)C1CCCC1
InChIInChI=1S/C15H18FNO4/c1-21-14(19)9-17(10-4-2-3-5-10)15(20)12-7-6-11(18)8-13(12)16/h6-8,10,18H,2-5,9H2,1H3
InChIKeyCQCSJVFPOXWXPK-UHFFFAOYSA-N
XLogP2.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-chloro-2-methylbenzoyl)-cyclopentylamino]acetate
CID 103782927
N-cyclobutyl-2-fluoro-4-hydroxy-N-methylbenzamide
CID 103940219
N-cyclobutyl-2-fluoro-4-hydroxy-N-(3-hydroxypropyl)benzamide
CID 102978235
methyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopentylamino]acetate
CID 80718193
3-[cyclopropyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
CID 107674735
methyl 2-[(5-bromo-2-hydroxybenzoyl)-cyclopentylamino]acetate
CID 103769480
N-cyclopropyl-2-fluoro-4-hydroxy-N-methylbenzamide
CID 103940160
N-(4-aminocyclohexyl)-2-fluoro-4-hydroxy-N-propylbenzamide
CID 107677171
methyl 2-[cyclopentyl-(2,5-dibromothiophene-3-carbonyl)amino]acetate
CID 103769492
methyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate
CID 43408243
methyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate
CID 80709522
N-cyclopentyl-N-ethyl-4-hydroxy-2-methylbenzamide
CID 113341129

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-(2-fluoro-4-hydroxybenzoyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-(2-fluoro-4-hydroxybenzoyl)amino]acetate (CID 107677270) is methyl 2-[cyclopentyl-(2-fluoro-4-hydroxybenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-(2-fluoro-4-hydroxybenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-(2-fluoro-4-hydroxybenzoyl)amino]acetate is COC(=O)CN(C(=O)c1ccc(O)cc1F)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl-(2-fluoro-4-hydroxybenzoyl)amino]acetate?
The InChIKey is CQCSJVFPOXWXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-21-14(19)9-17(10-4-2-3-5-10)15(20)12-7-6-11(18)8-13(12)16/h6-8,10,18H,2-5,9H2,1H3.
What are the key properties of methyl 2-[cyclopentyl-(2-fluoro-4-hydroxybenzoyl)amino]acetate?
methyl 2-[cyclopentyl-(2-fluoro-4-hydroxybenzoyl)amino]acetate has a molecular weight of 295.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-(2-fluoro-4-hydroxybenzoyl)amino]acetate is sourced from PubChem (CID 107677270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).