methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;hydrochloride

C7H14ClNO3 — CID 74889924

IUPACmethyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;hydrochloride
SMILESCOC(=O)CO[C@@H]1CCNC1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-10-7(9)5-11-6-2-3-8-4-6;/h6,8H,2-5H2,1H3;1H/t6-;/m1./s1
InChIKeyUVWLDEJPOAOZOV-FYZOBXCZSA-N
MW195.65 g/mol
LogP-0.04
Rot. Bonds3

About methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;hydrochloride

methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;hydrochloride (PubChem CID 74889924) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;hydrochloride
PubChem CID74889924
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Namemethyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;hydrochloride
SMILESCOC(=O)CO[C@@H]1CCNC1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-10-7(9)5-11-6-2-3-8-4-6;/h6,8H,2-5H2,1H3;1H/t6-;/m1./s1
InChIKeyUVWLDEJPOAOZOV-FYZOBXCZSA-N
XLogP-0.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;hydrochloride?
The IUPAC name of methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;hydrochloride (CID 74889924) is methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;hydrochloride.
What is the SMILES notation for methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;hydrochloride?
The canonical SMILES for methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;hydrochloride is COC(=O)CO[C@@H]1CCNC1.Cl.
What is the InChIKey of methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;hydrochloride?
The InChIKey is UVWLDEJPOAOZOV-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-10-7(9)5-11-6-2-3-8-4-6;/h6,8H,2-5H2,1H3;1H/t6-;/m1./s1.
What are the key properties of methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;hydrochloride?
methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate;hydrochloride is sourced from PubChem (CID 74889924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).