2,2-dimethylpropanoic acid;(3R)-3-ethoxypyrrolidine

C11H23NO3 — CID 174626759

IUPAC2,2-dimethylpropanoic acid;(3R)-3-ethoxypyrrolidine
SMILESCC(C)(C)C(=O)O.CCO[C@@H]1CCNC1
InChIInChI=1S/C6H13NO.C5H10O2/c1-2-8-6-3-4-7-5-6;1-5(2,3)4(6)7/h6-7H,2-5H2,1H3;1-3H3,(H,6,7)/t6-;/m1./s1
InChIKeyYRQOYJOOIPRZSQ-FYZOBXCZSA-N
MW217.31 g/mol
LogP1.50
Rot. Bonds2

About 2,2-dimethylpropanoic acid;(3R)-3-ethoxypyrrolidine

2,2-dimethylpropanoic acid;(3R)-3-ethoxypyrrolidine (PubChem CID 174626759) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2,2-dimethylpropanoic acid;(3R)-3-ethoxypyrrolidine.

Molecular Properties

Compound Name2,2-dimethylpropanoic acid;(3R)-3-ethoxypyrrolidine
PubChem CID174626759
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2,2-dimethylpropanoic acid;(3R)-3-ethoxypyrrolidine
SMILESCC(C)(C)C(=O)O.CCO[C@@H]1CCNC1
InChIInChI=1S/C6H13NO.C5H10O2/c1-2-8-6-3-4-7-5-6;1-5(2,3)4(6)7/h6-7H,2-5H2,1H3;1-3H3,(H,6,7)/t6-;/m1./s1
InChIKeyYRQOYJOOIPRZSQ-FYZOBXCZSA-N
XLogP1.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxypyrrolidine
CID 21333172
(3S)-3-ethoxypyrrolidine
CID 11116030
ethane;3-ethoxypyrrolidine
CID 142624915
tert-butyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate
CID 126620309
N,N-diethyl-2-pyrrolidin-3-yloxyacetamide
CID 62327394
N-ethyl-N-methyl-2-pyrrolidin-3-yloxyacetamide
CID 62327910
2-[(3S)-pyrrolidin-3-yl]oxyacetamide
CID 94401198
methyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate
CID 34180571
pyrrolidin-3-yl propanoate
CID 53409832
(3R)-3-propoxypyrrolidine;hydrochloride
CID 138393556
3-(2-methoxyethoxy)pyrrolidine
CID 18337162
3-ethoxyazetidine
CID 22507733

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanoic acid;(3R)-3-ethoxypyrrolidine?
The IUPAC name of 2,2-dimethylpropanoic acid;(3R)-3-ethoxypyrrolidine (CID 174626759) is 2,2-dimethylpropanoic acid;(3R)-3-ethoxypyrrolidine.
What is the SMILES notation for 2,2-dimethylpropanoic acid;(3R)-3-ethoxypyrrolidine?
The canonical SMILES for 2,2-dimethylpropanoic acid;(3R)-3-ethoxypyrrolidine is CC(C)(C)C(=O)O.CCO[C@@H]1CCNC1.
What is the InChIKey of 2,2-dimethylpropanoic acid;(3R)-3-ethoxypyrrolidine?
The InChIKey is YRQOYJOOIPRZSQ-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H13NO.C5H10O2/c1-2-8-6-3-4-7-5-6;1-5(2,3)4(6)7/h6-7H,2-5H2,1H3;1-3H3,(H,6,7)/t6-;/m1./s1.
What are the key properties of 2,2-dimethylpropanoic acid;(3R)-3-ethoxypyrrolidine?
2,2-dimethylpropanoic acid;(3R)-3-ethoxypyrrolidine has a molecular weight of 217.31 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanoic acid;(3R)-3-ethoxypyrrolidine is sourced from PubChem (CID 174626759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).