methyl 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetate

C11H16F3NO3 — CID 71969028

IUPACmethyl 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetate
SMILESCOC(=O)CN(C(=O)CC(F)(F)F)C1CCCC1
InChIInChI=1S/C11H16F3NO3/c1-18-10(17)7-15(8-4-2-3-5-8)9(16)6-11(12,13)14/h8H,2-7H2,1H3
InChIKeyTZNUTUYGKNZMIX-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.88
Rot. Bonds4

About methyl 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetate

methyl 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetate (PubChem CID 71969028) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is methyl 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetate
PubChem CID71969028
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Namemethyl 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetate
SMILESCOC(=O)CN(C(=O)CC(F)(F)F)C1CCCC1
InChIInChI=1S/C11H16F3NO3/c1-18-10(17)7-15(8-4-2-3-5-8)9(16)6-11(12,13)14/h8H,2-7H2,1H3
InChIKeyTZNUTUYGKNZMIX-UHFFFAOYSA-N
XLogP1.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[acetyl(cyclopentyl)amino]acetate
CID 80709615
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
CID 77038106
N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
CID 80659104
methyl 2-[cyclopentyl(4-ethoxybutanoyl)amino]acetate
CID 80709869
methyl 2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetate
CID 113330734
methyl 2-[cyclopentyl(4,4,4-trifluorobutyl)amino]acetate
CID 113330874
methyl 2-[cyclopentyl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]acetate
CID 80709783
methyl 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate
CID 55208202
methyl 2-[cyclopentyl(piperidine-1-carbonyl)amino]acetate
CID 113330694
methyl 2-[cyclopentyl-(2-phenylsulfanylacetyl)amino]acetate
CID 80718069
methyl 2-[cyclopentyl(phenylcarbamoyl)amino]acetate
CID 115536075
methyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67008317

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetate (CID 71969028) is methyl 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetate is COC(=O)CN(C(=O)CC(F)(F)F)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetate?
The InChIKey is TZNUTUYGKNZMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-18-10(17)7-15(8-4-2-3-5-8)9(16)6-11(12,13)14/h8H,2-7H2,1H3.
What are the key properties of methyl 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetate?
methyl 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetate has a molecular weight of 267.25 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetate is sourced from PubChem (CID 71969028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).