[3-(cyclopentylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate

C12H18F3NO3 — CID 102222872

IUPAC[3-(cyclopentylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate
SMILESCC(C)(COC(=O)C(F)(F)F)C(=O)NC1CCCC1
InChIInChI=1S/C12H18F3NO3/c1-11(2,7-19-10(18)12(13,14)15)9(17)16-8-5-3-4-6-8/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyWLRUBFPWIVJKDD-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.18
Rot. Bonds4

About [3-(cyclopentylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate

[3-(cyclopentylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate (PubChem CID 102222872) has the molecular formula C12H18F3NO3 and a molecular weight of 281.27 g/mol. Its IUPAC name is [3-(cyclopentylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[3-(cyclopentylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate
PubChem CID102222872
Molecular FormulaC12H18F3NO3
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC Name[3-(cyclopentylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate
SMILESCC(C)(COC(=O)C(F)(F)F)C(=O)NC1CCCC1
InChIInChI=1S/C12H18F3NO3/c1-11(2,7-19-10(18)12(13,14)15)9(17)16-8-5-3-4-6-8/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyWLRUBFPWIVJKDD-UHFFFAOYSA-N
XLogP2.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopentylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate?
The IUPAC name of [3-(cyclopentylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate (CID 102222872) is [3-(cyclopentylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [3-(cyclopentylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [3-(cyclopentylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate is CC(C)(COC(=O)C(F)(F)F)C(=O)NC1CCCC1.
What is the InChIKey of [3-(cyclopentylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate?
The InChIKey is WLRUBFPWIVJKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO3/c1-11(2,7-19-10(18)12(13,14)15)9(17)16-8-5-3-4-6-8/h8H,3-7H2,1-2H3,(H,16,17).
What are the key properties of [3-(cyclopentylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate?
[3-(cyclopentylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate has a molecular weight of 281.27 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopentylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 102222872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).