methyl 2-pyrrolidin-3-yloxyacetate

C7H13NO3 — CID 44607833

IUPACmethyl 2-pyrrolidin-3-yloxyacetate
SMILESCOC(=O)COC1CCNC1
InChIInChI=1S/C7H13NO3/c1-10-7(9)5-11-6-2-3-8-4-6/h6,8H,2-5H2,1H3
InChIKeyCNRMSXVAIYXYCE-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.46
Rot. Bonds3

About methyl 2-pyrrolidin-3-yloxyacetate

methyl 2-pyrrolidin-3-yloxyacetate (PubChem CID 44607833) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl 2-pyrrolidin-3-yloxyacetate.

Molecular Properties

Compound Namemethyl 2-pyrrolidin-3-yloxyacetate
PubChem CID44607833
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl 2-pyrrolidin-3-yloxyacetate
SMILESCOC(=O)COC1CCNC1
InChIInChI=1S/C7H13NO3/c1-10-7(9)5-11-6-2-3-8-4-6/h6,8H,2-5H2,1H3
InChIKeyCNRMSXVAIYXYCE-UHFFFAOYSA-N
XLogP-0.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-pyrrolidin-3-yloxyacetate?
The IUPAC name of methyl 2-pyrrolidin-3-yloxyacetate (CID 44607833) is methyl 2-pyrrolidin-3-yloxyacetate.
What is the SMILES notation for methyl 2-pyrrolidin-3-yloxyacetate?
The canonical SMILES for methyl 2-pyrrolidin-3-yloxyacetate is COC(=O)COC1CCNC1.
What is the InChIKey of methyl 2-pyrrolidin-3-yloxyacetate?
The InChIKey is CNRMSXVAIYXYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-10-7(9)5-11-6-2-3-8-4-6/h6,8H,2-5H2,1H3.
What are the key properties of methyl 2-pyrrolidin-3-yloxyacetate?
methyl 2-pyrrolidin-3-yloxyacetate has a molecular weight of 159.18 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pyrrolidin-3-yloxyacetate is sourced from PubChem (CID 44607833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).