methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate

C15H20FNO2 — CID 79006293

IUPACmethyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C15H20FNO2/c1-19-15(18)11-17(14-4-2-3-5-14)10-12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11H2,1H3
InChIKeyVMZXWETVPKGVPB-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.74
Rot. Bonds5

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

methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate (PubChem CID 79006293) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate
PubChem CID79006293
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Namemethyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C15H20FNO2/c1-19-15(18)11-17(14-4-2-3-5-14)10-12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11H2,1H3
InChIKeyVMZXWETVPKGVPB-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetate
CID 80709366
2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9300301
2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-propylacetamide
CID 8684133
methyl 2-[(3-chloro-2-fluorophenyl)methyl-cyclopentylamino]acetate
CID 103887261
2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 102676667
ethyl 2-[benzyl(cycloheptyl)amino]acetate
CID 82925724
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27119187
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 8872677
methyl 2-[(5-fluoro-2-methylphenyl)methyl-(oxan-4-yl)amino]acetate
CID 91660048
methyl 5-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8905823
N-carbamoyl-3-[cyclohexyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 18291247
2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 39361490

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate (CID 79006293) is methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate is COC(=O)CN(Cc1ccc(F)cc1)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate?
The InChIKey is VMZXWETVPKGVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-19-15(18)11-17(14-4-2-3-5-14)10-12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11H2,1H3.
What are the key properties of methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate?
methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate has a molecular weight of 265.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate is sourced from PubChem (CID 79006293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).