tert-butyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate

C10H19NO3 — CID 126620309

IUPACtert-butyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate
SMILESCC(C)(C)OC(=O)CO[C@@H]1CCNC1
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(12)7-13-8-4-5-11-6-8/h8,11H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyDATHSDGIKBSITL-MRVPVSSYSA-N
MW201.27 g/mol
LogP0.71
Rot. Bonds3

About tert-butyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate

tert-butyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate (PubChem CID 126620309) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate.

Molecular Properties

Compound Nametert-butyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate
PubChem CID126620309
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate
SMILESCC(C)(C)OC(=O)CO[C@@H]1CCNC1
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(12)7-13-8-4-5-11-6-8/h8,11H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyDATHSDGIKBSITL-MRVPVSSYSA-N
XLogP0.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate
CID 34180571
2-[(3S)-pyrrolidin-3-yl]oxyacetamide
CID 94401198
tert-butyl 2-cyclopent-3-en-1-yloxyacetate
CID 123892094
2,2-dimethylpropanoic acid;(3R)-3-ethoxypyrrolidine
CID 174626759
tert-butyl 2-[(1R)-3-hydroxycyclopentyl]oxyacetate
CID 143503788
methyl 2-[(3R)-piperidin-3-yl]oxyacetate
CID 99909798
N,N-diethyl-2-pyrrolidin-3-yloxyacetamide
CID 62327394
2-[(2-methylpropan-2-yl)oxy]ethyl 2-piperidin-4-yloxyacetate
CID 112588078
tert-butyl 2-[(1R,3S)-3-hydroxycyclohexyl]oxyacetate
CID 58280201
N-propan-2-yl-2-pyrrolidin-3-yloxyacetamide
CID 62327224
N-ethyl-N-methyl-2-pyrrolidin-3-yloxyacetamide
CID 62327910
1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone
CID 62327566

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate?
The IUPAC name of tert-butyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate (CID 126620309) is tert-butyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate.
What is the SMILES notation for tert-butyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate?
The canonical SMILES for tert-butyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate is CC(C)(C)OC(=O)CO[C@@H]1CCNC1.
What is the InChIKey of tert-butyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate?
The InChIKey is DATHSDGIKBSITL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,3)14-9(12)7-13-8-4-5-11-6-8/h8,11H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of tert-butyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate?
tert-butyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate has a molecular weight of 201.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate is sourced from PubChem (CID 126620309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).