methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;2,2,2-trifluoroacetic acid

C9H14F3NO5 — CID 162369760

IUPACmethyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)CO[C@@H]1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13NO3.C2HF3O2/c1-10-7(9)5-11-6-2-3-8-4-6;3-2(4,5)1(6)7/h6,8H,2-5H2,1H3;(H,6,7)/t6-;/m1./s1
InChIKeyRRLDSOVGAVTTTL-FYZOBXCZSA-N
MW273.21 g/mol
LogP0.17
Rot. Bonds3

About methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;2,2,2-trifluoroacetic acid

methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;2,2,2-trifluoroacetic acid (PubChem CID 162369760) has the molecular formula C9H14F3NO5 and a molecular weight of 273.21 g/mol. Its IUPAC name is methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemethyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;2,2,2-trifluoroacetic acid
PubChem CID162369760
Molecular FormulaC9H14F3NO5
Molecular Weight273.21 g/mol
Exact Mass273.08
IUPAC Namemethyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)CO[C@@H]1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13NO3.C2HF3O2/c1-10-7(9)5-11-6-2-3-8-4-6;3-2(4,5)1(6)7/h6,8H,2-5H2,1H3;(H,6,7)/t6-;/m1./s1
InChIKeyRRLDSOVGAVTTTL-FYZOBXCZSA-N
XLogP0.17
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;2,2,2-trifluoroacetic acid?
The IUPAC name of methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;2,2,2-trifluoroacetic acid (CID 162369760) is methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;2,2,2-trifluoroacetic acid?
The canonical SMILES for methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;2,2,2-trifluoroacetic acid is COC(=O)CO[C@@H]1CCNC1.O=C(O)C(F)(F)F.
What is the InChIKey of methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;2,2,2-trifluoroacetic acid?
The InChIKey is RRLDSOVGAVTTTL-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H13NO3.C2HF3O2/c1-10-7(9)5-11-6-2-3-8-4-6;3-2(4,5)1(6)7/h6,8H,2-5H2,1H3;(H,6,7)/t6-;/m1./s1.
What are the key properties of methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;2,2,2-trifluoroacetic acid?
methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;2,2,2-trifluoroacetic acid has a molecular weight of 273.21 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162369760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).