methyl 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylate

C16H24F3NO3 — CID 75502591

IUPACmethyl 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1NC(=O)CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H24F3NO3/c1-23-15(22)12-3-2-4-13(12)20-14(21)9-10-5-7-11(8-6-10)16(17,18)19/h10-13H,2-9H2,1H3,(H,20,21)
InChIKeyOPTOZOXMMNUAMI-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.20
Rot. Bonds4

About methyl 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylate

methyl 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylate (PubChem CID 75502591) has the molecular formula C16H24F3NO3 and a molecular weight of 335.37 g/mol. Its IUPAC name is methyl 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylate
PubChem CID75502591
Molecular FormulaC16H24F3NO3
Molecular Weight335.37 g/mol
Exact Mass335.17
IUPAC Namemethyl 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1NC(=O)CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H24F3NO3/c1-23-15(22)12-3-2-4-13(12)20-14(21)9-10-5-7-11(8-6-10)16(17,18)19/h10-13H,2-9H2,1H3,(H,20,21)
InChIKeyOPTOZOXMMNUAMI-UHFFFAOYSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylate (CID 75502591) is methyl 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylate is COC(=O)C1CCCC1NC(=O)CC1CCC(C(F)(F)F)CC1.
What is the InChIKey of methyl 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylate?
The InChIKey is OPTOZOXMMNUAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO3/c1-23-15(22)12-3-2-4-13(12)20-14(21)9-10-5-7-11(8-6-10)16(17,18)19/h10-13H,2-9H2,1H3,(H,20,21).
What are the key properties of methyl 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylate?
methyl 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylate has a molecular weight of 335.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 75502591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).