methyl 2-[(3R)-piperidin-3-yl]oxyacetate

C8H15NO3 — CID 99909798

IUPACmethyl 2-[(3R)-piperidin-3-yl]oxyacetate
SMILESCOC(=O)CO[C@@H]1CCCNC1
InChIInChI=1S/C8H15NO3/c1-11-8(10)6-12-7-3-2-4-9-5-7/h7,9H,2-6H2,1H3/t7-/m1/s1
InChIKeyIKIYCAXLBFLQPJ-SSDOTTSWSA-N
MW173.21 g/mol
LogP-0.07
Rot. Bonds3

About methyl 2-[(3R)-piperidin-3-yl]oxyacetate

methyl 2-[(3R)-piperidin-3-yl]oxyacetate (PubChem CID 99909798) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 2-[(3R)-piperidin-3-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[(3R)-piperidin-3-yl]oxyacetate
PubChem CID99909798
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 2-[(3R)-piperidin-3-yl]oxyacetate
SMILESCOC(=O)CO[C@@H]1CCCNC1
InChIInChI=1S/C8H15NO3/c1-11-8(10)6-12-7-3-2-4-9-5-7/h7,9H,2-6H2,1H3/t7-/m1/s1
InChIKeyIKIYCAXLBFLQPJ-SSDOTTSWSA-N
XLogP-0.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R)-piperidin-3-yl]oxyacetate?
The IUPAC name of methyl 2-[(3R)-piperidin-3-yl]oxyacetate (CID 99909798) is methyl 2-[(3R)-piperidin-3-yl]oxyacetate.
What is the SMILES notation for methyl 2-[(3R)-piperidin-3-yl]oxyacetate?
The canonical SMILES for methyl 2-[(3R)-piperidin-3-yl]oxyacetate is COC(=O)CO[C@@H]1CCCNC1.
What is the InChIKey of methyl 2-[(3R)-piperidin-3-yl]oxyacetate?
The InChIKey is IKIYCAXLBFLQPJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO3/c1-11-8(10)6-12-7-3-2-4-9-5-7/h7,9H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of methyl 2-[(3R)-piperidin-3-yl]oxyacetate?
methyl 2-[(3R)-piperidin-3-yl]oxyacetate has a molecular weight of 173.21 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R)-piperidin-3-yl]oxyacetate is sourced from PubChem (CID 99909798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).